SCHEMBL2909985

SCHEMBL2909985

COC(=O)c1cc(O)c2ccc(OC(F)(F)F)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LCK P06239 1/20 0.39
DHODH Q02127 1/20 0.39
MMP13 P45452 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
HPGDS O60760 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
EPHX2 P34913 1/20 0.37
PDE3B Q13370 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
PPM1A P35813 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL2907173 0.90 DHODH (0.46) DYRK1AHTTSMN1; SMN2LCKDHODH
SCHEMBL2909353 0.86 DHODH (0.46) DYRK1AHTTSMN1; SMN2DHODHIGF1R
SCHEMBL562343 0.86 BACE1 (0.47) DYRK1ALCKMMP13MAPTPDE3B
SCHEMBL2910799 0.83 CFTR (0.49) DYRK1AHTTL3MBTL1LCKMAPT
SCHEMBL2907172 0.81 LCK (0.43) HTTSMN1; SMN2LCKDHODHMAPT
SCHEMBL2908924 0.80 KDM4E (0.49) LCKMAPT
SCHEMBL2903172 0.80 PTPN7 (0.43) L3MBTL1LCKMAPTPDE3B
SCHEMBL2905734 0.80 PLA2G2A (0.47) HTTSMN1; SMN2LCKMAPT
SCHEMBL2907089 0.79 GRM2 (0.46) SMN1; SMN2LCKMAPT
SCHEMBL14851010 0.79 NPC1 (0.41) DYRK1ASMN1; SMN2DHODHADORA3EPHX2

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 DYRK1A 3165/4885HTT 3885/4885SMN1; SMN2 3695/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DYRK1A 3307/4885HTT 4179/4885SMN1; SMN2 4279/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DYRK1A 3307/4885HTT 4179/4885SMN1; SMN2 4279/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 DYRK1A 3554/4885HTT 4260/4885SMN1; SMN2 3527/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B DYRK1A 3675/4885HTT 4576/4885SMN1; SMN2 4038/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R DYRK1A 3065/4885HTT 4120/4885SMN1; SMN2 4340/4885

“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.