SCHEMBL2907726

SCHEMBL2907726

CSc1ccc2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
DHODH Q02127 1/20 0.47
ALOX15 P16050 2/20 0.41
IGFBP5 P24593 5/20 0.39
TYMS P04818 1/20 0.39
IGFBP3 P17936 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
ALDH1A1 P00352 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38

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
SCHEMBL9340031 0.86 IGFBP3 (0.40) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL2908395 0.85 MCL1 (0.42) MCL1DHODHTYMSMMP13
SCHEMBL28052017 0.79 ALDH1A1 (0.48) DHODHALOX15ALDH1A1CSNK2A1TSHR
SCHEMBL975885 0.78 IGFBP5 (0.43) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL11827386 0.77 IGFBP5 (0.47) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL2908985 0.77 ALOX15 (0.48) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL2903071 0.76 IGFBP3 (0.44) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL11823904 0.76 IGFBP5 (0.46) ALOX15IGFBP5IGFBP3ALDH1A1TSHR
SCHEMBL9039085 0.76 ALDH1A1 (0.48) MCL1DHODHALOX15ALDH1A1
SCHEMBL1305232 0.76 ALDH1A1 (0.49) DHODHIGFBP5IGFBP3ALDH1A1HIF1A

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 17 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
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 CN 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
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (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 MCL1 1860/4885DHODH 1236/4885ALOX15 1093/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MCL1 2253/4885DHODH 1143/4885ALOX15 789/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MCL1 2253/4885DHODH 1143/4885ALOX15 789/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 MCL1 1454/4885DHODH 1247/4885ALOX15 1084/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B MCL1 1734/4885DHODH 1188/4885ALOX15 763/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R MCL1 2270/4885DHODH 1232/4885ALOX15 861/4885

“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.