SCHEMBL2910020

SCHEMBL2910020

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ NSD2 O96028 1/20 0.46
▸ ALOX15 P16050 1/20 0.41
▸ IP6K1 Q92551 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ APP P05067 2/20 0.41
▸ TERT O14746 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ IDO2 Q6ZQW0 1/20 0.39

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
SCHEMBL2909030 0.85 NQO2 (0.48) ALDH1A1KDM4EPDE3BPDE3ANSD2
SCHEMBL28052017 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EALOX15ELANEHSD17B10
SCHEMBL975885 0.78 IGFBP5 (0.43) ALDH1A1ALOX15IGFBP3IGFBP5PTGS2
SCHEMBL11827386 0.77 IGFBP5 (0.47) ALDH1A1KDM4EALOX15HPGDHSD17B10
SCHEMBL2908985 0.77 ALOX15 (0.48) ALDH1A1KDM4EALOX15IP6K1MAPT
SCHEMBL2903071 0.76 IGFBP3 (0.44) ALDH1A1KDM4EALOX15IGFBP3IGFBP5
SCHEMBL11823904 0.76 IGFBP5 (0.46) ALDH1A1KDM4EALOX15HPGDHSD17B10
SCHEMBL2907367 0.76 IGFBP3 (0.48) ALDH1A1KDM4ENSD2ALOX15MAPT
SCHEMBL2908145 0.76 DHODH (0.48) ALDH1A1IGFBP3IGFBP5
SCHEMBL1305232 0.76 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10IGFBP3IGFBP5

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 ALDH1A1 1457/4885KDM4E 4082/4885PDE3B 191/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885KDM4E 4333/4885PDE3B 104/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885KDM4E 4333/4885PDE3B 104/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 ALDH1A1 817/4885KDM4E 4372/4885PDE3B 242/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885KDM4E 4378/4885PDE3B 150/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R ALDH1A1 705/4885KDM4E 4296/4885PDE3B 92/4885

“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.

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