SCHEMBL2909268

SCHEMBL2909268

COC(=O)c1cc(O)c2ccc(C(C)=O)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
XDH P47989 1/20 0.41
CSNK2A1 P68400 2/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 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
SCHEMBL2908172 0.89 CSNK2A1 (0.46) LCKALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2909013 0.89 SLC2A1 (0.43) LCKALDH1A1KDM4EHSD17B10CA12
SCHEMBL2907650 0.84 IGFBP3 (0.43) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL2908924 0.84 KDM4E (0.49) LCKALDH1A1KDM4EHSD17B10CA12
SCHEMBL6080447 0.83 SMN1; SMN2 (0.54) LCKALDH1A1KDM4EMAPTKMT2A
SCHEMBL2907089 0.82 GRM2 (0.46) LCKALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL2907172 0.81 LCK (0.43) LCKKDM4EMAPTHPGDLMNA
SCHEMBL562343 0.81 BACE1 (0.47) LCKALDH1A1KDM4EHSD17B10MAPT
SCHEMBL2906714 0.81 L3MBTL1 (0.47) LCKALDH1A1TSHRMAPTTP53
SCHEMBL2904899 0.81 EGFR (0.46) LCKKMT2ACSNK2A2CSNK2B

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 13 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
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
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 LCK 4567/4885ALDH1A1 1457/4885KDM4E 4082/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LCK 4675/4885ALDH1A1 745/4885KDM4E 4333/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LCK 4675/4885ALDH1A1 745/4885KDM4E 4333/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 LCK 4575/4885ALDH1A1 817/4885KDM4E 4372/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B LCK 4696/4885ALDH1A1 585/4885KDM4E 4378/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R LCK 4659/4885ALDH1A1 705/4885KDM4E 4296/4885

“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.