Sugi Predict

Sugi Predict / Compounds / SCHEMBL1069076

SCHEMBL1069076

SCHEMBL1069076

Cc1nc(Cl)c2c(n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACHE P22303 6/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ BPTF Q12830 1/20 0.40
▸ TUBB3 Q13509 3/20 0.40
▸ ABCB1 P08183 2/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ BCHE P06276 4/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2A Q12879 3/20 0.38
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ USP2 O75604 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3106221 0.96 MAPK1 (0.44) KDM4ENPSR1ACHEMAPK1KMT2A
SCHEMBL5440063 0.77 KDM4E (0.57) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL633261 0.77 ACHE (0.43) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL30777931 0.77 ACHE (0.43) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL21963334 0.75 MAPK1 (0.48) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL24213287 0.74 KDM4E (0.41) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL18711586 0.74 KDM4E (0.41) KDM4ENPSR1ACHEMAPK1KMT2A
SCHEMBL11563224 0.74 ACHE (0.50) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL2922186 0.74 KDM4E (0.53) KDM4EACHEMAPK1KMT2AMEN1
SCHEMBL857098 0.74 KMT2A (0.46) KDM4EACHEMAPK1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124520-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-21 — — US disclosed
US-20200181152-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-06-11 — — US disclosed
US-10556890-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-02-11 — — US disclosed
US-10538527-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-01-21 — — US disclosed
US-20190241571-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-08-08 — — US disclosed
US-10239880-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-03-26 — — US disclosed
US-10189825-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-01-29 — — US disclosed
US-20180118727-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2018-05-03 — — US disclosed
US-20180118727-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2018-05-03 — — US disclosed
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-10-20 — — US disclosed
US-20060276645-A1 Novel carboxylic acid derivatives, their preparation and use RIECHERS HARTMUT 2006-12-07 — — US disclosed
US-7119097-B2 Carboxylic acid derivatives, their preparation and their use ABBOTT GMBH & CO. KG (DE) 2006-10-10 — — US disclosed
US-7109205-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2006-09-19 — — US disclosed
US-20060160808-A1 New carboxylic acid derivatives, their preparation and their use ROYALTY PHARMA COLLECTION TRUST 2006-07-20 — — US disclosed
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG 2004-05-13 — — US disclosed
US-6600043-B2 Pyramidine or triazine derivatives which specifically inhibit the binding of endothelin to the receptor BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 — — US disclosed
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-05-02 — — US disclosed
US-6197958-B1 CYCLOPENTAPYRIMIDINE DERIVATIVES; ENDOTHELIN RECEPTOR INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 — — US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents FOLR1, TUBB1, TUBA1C KDM4E 2794/4885NPSR1 2269/4885ACHE 4812/4885
US-20200181152-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents FOLR1, DHFR, TUBB3 KDM4E 3095/4885NPSR1 2075/4885ACHE 4847/4885
US-10556890-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT KDM4E 2412/4885NPSR1 446/4885ACHE 134/4885
US-20180118727-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GRIN2C, TPMT KDM4E 2412/4885NPSR1 446/4885ACHE 134/4885
US-20190241571-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents TUBB, TUBB1, TUBA1C KDM4E 3565/4885NPSR1 2419/4885ACHE 4825/4885
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 KDM4E 2226/4885NPSR1 1970/4885ACHE 2371/4885
US-10239880-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents FOLR1, TUBB1, TUBA1C KDM4E 2794/4885NPSR1 2269/4885ACHE 4812/4885
US-20060276645-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, HCAR3 KDM4E 1939/4885NPSR1 1488/4885ACHE 2099/4885
US-10189825-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT KDM4E 2412/4885NPSR1 446/4885ACHE 134/4885
US-11124520-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents FOLR1, DHFR, TUBB3 KDM4E 3019/4885NPSR1 2173/4885ACHE 4848/4885
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 KDM4E 2226/4885NPSR1 1970/4885ACHE 2371/4885
US-10538527-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents TUBB, TUBB1, TUBA1C KDM4E 3565/4885NPSR1 2419/4885ACHE 4825/4885
US-20060160808-A1 New carboxylic acid derivatives, their preparation and their use CYP2C19, CYP2C9, ABCG2 KDM4E 2996/4885NPSR1 1857/4885ACHE 2203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.