SCHEMBL1639633

SCHEMBL1639633

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(c4cccc(OC)c4)c4nnn[nH]4)cc3)c(=O)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ROCK1 Q13464 6/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR3A P46098 1/20 0.37
▸ PRKACA P17612 2/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ PRKG1 Q13976 2/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AKT2 P31751 1/20 0.36

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
SCHEMBL1639568 0.92 P2RY12 (0.39) ROCK2P2RY12KMT2AMEN1HTR3A
SCHEMBL1639029 0.91 P2RY12 (0.42) P2RY12KMT2AMEN1HTR3AMAPK1
SCHEMBL1639046 0.91 P2RY12 (0.41) P2RY12KMT2AMEN1HTR3AMAPK1
SCHEMBL1639086 0.90 P2RY12 (0.44) P2RY12CYP2C9CYP3A4HTR3AMAPK1
SCHEMBL1640660 0.89 P2RY12 (0.40) P2RY12HTR3ALMNATP53
SCHEMBL1640850 0.86 P2RY12 (0.44) P2RY12HTR3ATP53
SCHEMBL1640679 0.86 P2RY12 (0.46) P2RY12KMT2AHTR3AMAPK1KDM4E
SCHEMBL1640529 0.86 P2RY12 (0.46) P2RY12HTR3ATP53
SCHEMBL1640854 0.83 P2RY12 (0.44) P2RY12KMT2AMEN1HTR3AMAPK1
SCHEMBL12727424 0.82 P2RY12 (0.44) P2RY12KMT2AMEN1HTR3AKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP claimed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US claimed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
EP-2094272-B1 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2014-03-26 — — EP disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO 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 (2 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 ROCK2 2821/4885P2RY12 120/4885KMT2A 2815/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT ROCK2 2533/4885P2RY12 20/4885KMT2A 4432/4885

“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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