Sugi Predict

Sugi Predict / Compounds / SCHEMBL803084

SCHEMBL803084

SCHEMBL803084

Cc1nccc(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.39
▸ GRM4 Q14833 1/20 0.37
▸ AAK1 Q2M2I8 3/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL20909663 0.82 GRM4 (0.35) GRM4AAK1KDM4ELMNAALDH1A1
SCHEMBL20031180 0.82 GRM4 (0.35) GRM4AAK1KDM4ELMNAALDH1A1
SCHEMBL10193126 0.82 GRM4 (0.35) SYKGRM4AAK1KDM4ELMNA
SCHEMBL28203328 0.82 HCRTR1 (0.35) SYKGRM4AAK1KDM4ELMNA
SCHEMBL25469619 0.79 GRM4 (0.36) GRM4CYP2A6KDM4ELMNARAB9A
SCHEMBL28872199 0.79 SYK (0.38) SYKCYP2A6KDM4ELMNARAB9A
SCHEMBL171691 0.79 ADRB1 (0.43) SYKGRM4KDM4E
SCHEMBL20350390 0.79 GRM4 (0.33) GRM4AAK1KDM4ELMNA
SCHEMBL16454353 0.77 JAK2 (0.43) GRM4AAK1KDM4ELMNACDK2
SCHEMBL279200 0.76 SYK (0.39) SYKCYP2A6LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 — — US disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 — — US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 — — US disclosed
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. 2023-09-21 — — US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 — — US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 — — US disclosed
US-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 — — 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 (17 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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO SYK 2754/4885GRM4 1186/4885AAK1 2137/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR SYK 2398/4885GRM4 3663/4885AAK1 3493/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 SYK 3915/4885GRM4 3821/4885AAK1 1043/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SYK 601/4885GRM4 4634/4885AAK1 3357/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SYK 357/4885GRM4 3876/4885AAK1 496/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS SYK 94/4885GRM4 2713/4885AAK1 1813/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 SYK 2693/4885GRM4 562/4885AAK1 2122/4885
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT SYK 331/4885GRM4 781/4885AAK1 2007/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 SYK 230/4885GRM4 214/4885AAK1 2092/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885GRM4 3866/4885AAK1 4713/4885
US-20230295170-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 SYK 230/4885GRM4 214/4885AAK1 2092/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SYK 2370/4885GRM4 3866/4885AAK1 4713/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 SYK 661/4885GRM4 4127/4885AAK1 51/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH SYK 1083/4885GRM4 4322/4885AAK1 2837/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 SYK 2646/4885GRM4 2007/4885AAK1 196/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SYK 2227/4885GRM4 2273/4885AAK1 1960/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B SYK 3579/4885GRM4 3444/4885AAK1 3193/4885

“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.