SCHEMBL2903161

SCHEMBL2903161

COC(=O)c1cc(=O)c2cc(Cl)c(C)c(Cl)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
GPR35 Q9HC97 1/20 0.47
CYP1A2 P05177 1/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NGFR P08138 2/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
PLA2G7 Q13093 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALPL P05186 1/20 0.36
PABPC1 P11940 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL11639956 0.87 GLA (0.57) GLAGAAGPR35CYP1A2XDH
SCHEMBL11723446 0.82 GPR35 (0.68) GLAGAAGPR35CYP1A2XDH
SCHEMBL11714206 0.78 KDM4E (0.50) GLAGAAGPR35CYP1A2XDH
SCHEMBL11638566 0.76 GLA (0.58) GLAGAAGPR35CYP1A2XDH
SCHEMBL2907942 0.76 GLA (0.46) GLAGAAGPR35CYP1A2XDH
SCHEMBL26632777 0.75 GLA (0.51) GLAGAAGPR35CYP1A2XDH
SCHEMBL11721616 0.75 GLA (0.61) GLAGAAGPR35CYP1A2XDH
SCHEMBL11725265 0.75 GLA (0.57) GLAGAAGPR35CYP1A2XDH
SCHEMBL11807432 0.74 GLA (0.68) GLAGAAGPR35CYP1A2XDH
SCHEMBL23049740 0.72 XDH (0.44) GLAGAAGPR35CYP1A2XDH

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO 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 (6 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 GLA 3945/4885GAA 4087/4885GPR35 1319/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R GLA 3475/4885GAA 3605/4885GPR35 1218/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R GLA 3475/4885GAA 3605/4885GPR35 1218/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 GLA 3273/4885GAA 3639/4885GPR35 1428/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B GLA 2918/4885GAA 3343/4885GPR35 1412/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R GLA 3306/4885GAA 3561/4885GPR35 1190/4885

“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.