SCHEMBL2906699

SCHEMBL2906699

NC(=O)c1ccc2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
IGFBP3 P17936 7/20 0.43
IP6K1 Q92551 1/20 0.43
IGFBP5 P24593 3/20 0.41
CHEK2 O96017 3/20 0.41
IGFBP1 P08833 1/20 0.41
IGFBP2 P18065 1/20 0.41
IGFBP4 P22692 1/20 0.41
IGFBP6 P24592 1/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
DPP4 P27487 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 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
SCHEMBL2908985 0.88 ALOX15 (0.48) IGFBP3IP6K1IGFBP5IGFBP1IGFBP2
SCHEMBL2903071 0.84 IGFBP3 (0.44) IGFBP3IGFBP5IGFBP1IGFBP2IGFBP4
SCHEMBL2909497 0.84 GAA (0.43) LCKIP6K1ALOX15DPP4
SCHEMBL2907367 0.80 IGFBP3 (0.48) IGFBP3IGFBP5ALOX15TSHRHIF1A
SCHEMBL975885 0.80 IGFBP5 (0.43) IGFBP3IGFBP5ALOX15TSHRHIF1A
SCHEMBL11827386 0.79 IGFBP5 (0.47) IGFBP3IGFBP5IGFBP1IGFBP2IGFBP4
SCHEMBL11823904 0.77 IGFBP5 (0.46) IGFBP3IGFBP5IGFBP1IGFBP2IGFBP4
SCHEMBL9039085 0.77 ALDH1A1 (0.48) ALOX15
SCHEMBL1305232 0.77 ALDH1A1 (0.49) IGFBP3IGFBP5HIF1A
SCHEMBL4471851 0.77 IGFBP5 (0.41) IGFBP3IGFBP5ALOX15TSHRHIF1A

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 LCK 4567/4885IGFBP3 4170/4885IP6K1 637/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LCK 4675/4885IGFBP3 3464/4885IP6K1 515/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LCK 4675/4885IGFBP3 3464/4885IP6K1 515/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 LCK 4575/4885IGFBP3 3914/4885IP6K1 387/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B LCK 4696/4885IGFBP3 3531/4885IP6K1 282/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R LCK 4659/4885IGFBP3 3490/4885IP6K1 553/4885

“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.