SCHEMBL12768052

SCHEMBL12768052

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(C#N)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.56
▸ TP53 P04637 4/20 0.34
▸ HTR3A P46098 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ F10 P00742 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12768893 0.91 P2RY12 (0.47) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL12727419 0.91 P2RY12 (0.44) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL12768049 0.87 P2RY12 (0.57) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL1640891 0.87 P2RY12 (0.57) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL1640668 0.87 P2RY12 (0.56) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL1640528 0.87 P2RY12 (0.56) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL12768890 0.86 P2RY12 (0.56) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL12727407 0.86 P2RY12 (0.56) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL1639552 0.85 P2RY12 (0.55) P2RY12TP53HTR3AMAPTRXFP1
SCHEMBL13074285 0.85 P2RY12 (0.54) P2RY12TP53HTR3AMAPTRXFP1

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 7 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 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-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

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 P2RY12 120/4885TP53 3875/4885HTR3A 150/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT P2RY12 20/4885TP53 4347/4885HTR3A 269/4885

“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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