SCHEMBL255505

SCHEMBL255505

Cc1ccc2c(c1)CN=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.37
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 2/20 0.33
ADRA2A P08913 1/20 0.33
METAP1 P53582 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
CYP19A1 P11511 2/20 0.31
CYP11B2 P19099 2/20 0.31
NQO2 P16083 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7934799 0.83 HTR5A (0.38) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
SCHEMBL30025550 0.79 ADRA2A (0.34) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
SCHEMBL7938077 0.79 ADRA2A (0.34) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
Hydrochloric Acid SCHEMBL11820690 0.78 ADRA2A (0.33) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
SCHEMBL2145268 0.74 TRPA1 (0.36) ADRA2AMETAP1PARP10PARP11CYP19A1
Hydrochloric Acid SCHEMBL14921733 0.72 TRPA1 (0.35) ADRA2AMETAP1PARP10PARP11CYP19A1
SCHEMBL21936743 0.68 SLC6A2 (0.35) HTR5ANOTUM
SCHEMBL12043447 0.68 HTR5A (0.37) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
SCHEMBL12043446 0.68 HTR5A (0.37) HTR5ACYP1A2CYP2A6ADRA2AMETAP1
SCHEMBL4724433 0.67 ADRA2A (0.34) HTR5ACYP1A2CYP2A6ADRA2AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 EP disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
WO-2022083686-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE 深圳华大生命科学研究院 2022-04-28 WO disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 US disclosed
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-16 US disclosed
US-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
WO-2010077589-A2 STAT3 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 WO disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP 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 (12 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-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC HTR5A 4291/4885CYP1A2 4883/4885CYP2A6 4871/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HTR5A 1367/4885CYP1A2 110/4885CYP2A6 568/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH HTR5A 1813/4885CYP1A2 884/4885CYP2A6 586/4885
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 HTR5A 151/4885CYP1A2 1726/4885CYP2A6 2265/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HTR5A 3032/4885CYP1A2 701/4885CYP2A6 991/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HTR5A 444/4885CYP1A2 138/4885CYP2A6 207/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HTR5A 444/4885CYP1A2 138/4885CYP2A6 207/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HTR5A 1787/4885CYP1A2 1024/4885CYP2A6 806/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A HTR5A 64/4885CYP1A2 1924/4885CYP2A6 1059/4885
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM2, PIM1, CDK2 HTR5A 4167/4885CYP1A2 2937/4885CYP2A6 4216/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 HTR5A 2063/4885CYP1A2 2270/4885CYP2A6 1646/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 HTR5A 3872/4885CYP1A2 3494/4885CYP2A6 4609/4885

“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.