SCHEMBL2909353

SCHEMBL2909353

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
RUNX1 Q01196 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.39
IGFBP5 P24593 2/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
IGFBP3 P17936 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
IGF1R P08069 2/20 0.38
HDAC3 O15379 1/20 0.38
APP P05067 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
SCHEMBL2904860 0.90 DHODH (0.52) DHODHPIM1AURKATPX2RUNX1
SCHEMBL2909985 0.86 DYRK1A (0.43) DHODHHTTSMN1; SMN2DYRK1AIGF1R
SCHEMBL2908122 0.81 ALOX15 (0.50) SMN1; SMN2DYRK1AIGFBP5THRATHRB
SCHEMBL14851010 0.81 NPC1 (0.41) DHODHPIM1CSNK2A2CSNK2BRUNX1
SCHEMBL15129730 0.79 DHODH (0.57) DHODHPIM1RUNX1EGLN1SMN1; SMN2
SCHEMBL2907173 0.78 DHODH (0.46) DHODHPIM1HTTSMN1; SMN2DYRK1A
SCHEMBL2904601 0.78 IGFBP3 (0.50) DHODHPIM1IGFBP5IGFBP3
Riluzole SCHEMBL1007510 0.78 CYP3A4 (0.62) CSNK2A2CSNK2BHTTSMN1; SMN2DYRK1A
SCHEMBL2909583 0.78 PTPN7 (0.48) IGFBP5AKR1C2AKR1C1IGFBP3ALOX15
SCHEMBL2909106 0.76 IGFBP5 (0.45) DHODHCSNK2A2CSNK2BIGFBP5IGFBP3

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 16 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
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 DHODH 1236/4885PIM1 3986/4885CSNK2A2 3937/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DHODH 1143/4885PIM1 4465/4885CSNK2A2 3621/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DHODH 1143/4885PIM1 4465/4885CSNK2A2 3621/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 DHODH 1247/4885PIM1 4123/4885CSNK2A2 4025/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B DHODH 1188/4885PIM1 4481/4885CSNK2A2 3639/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R DHODH 1232/4885PIM1 4475/4885CSNK2A2 3708/4885

“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.