SCHEMBL1639077

SCHEMBL1639077

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(C(=O)OCCN4CCOCC4)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.47
▸ HTR3A P46098 6/20 0.46
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL12727519 0.87 HTR3A (0.46) P2RY12HTR3AHSD17B10MAPK14ALDH1A1
SCHEMBL1639047 0.87 P2RY12 (0.54) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL12727407 0.86 P2RY12 (0.56) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL1640891 0.83 P2RY12 (0.57) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL1640668 0.83 P2RY12 (0.56) P2RY12HTR3AALDH1A1GAAKMT2A
SCHEMBL12768890 0.82 P2RY12 (0.56) P2RY12HTR3AGAAKMT2ASMN1; SMN2
SCHEMBL1640127 0.81 P2RY12 (0.53) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL1640528 0.80 P2RY12 (0.56) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL12768049 0.79 P2RY12 (0.57) P2RY12HTR3AHSD17B10ALDH1A1GAA
SCHEMBL12727409 0.79 P2RY12 (0.54) P2RY12HTR3AHSD17B10ALDH1A1GAA

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 18 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-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 P2RY12 120/4885HTR3A 150/4885HSD17B10 3654/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT P2RY12 20/4885HTR3A 269/4885HSD17B10 2817/4885

“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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