SCHEMBL1639086

SCHEMBL1639086

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.44
▸ MAPK1 P28482 7/20 0.40
▸ MAPK3 P27361 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL1640679 0.93 P2RY12 (0.46) P2RY12MAPK1MAPK3KDM4ESMN1; SMN2
SCHEMBL1639029 0.93 P2RY12 (0.42) P2RY12MAPK1MAPK3KDM4ESMN1; SMN2
SCHEMBL1639046 0.92 P2RY12 (0.41) P2RY12MAPK1MAPK3KDM4ESMN1; SMN2
SCHEMBL1640529 0.92 P2RY12 (0.46) P2RY12SMN1; SMN2TP53MAPTHTR3A
SCHEMBL1640850 0.91 P2RY12 (0.44) P2RY12TP53MAPTHTR3A
SCHEMBL1639633 0.90 ROCK2 (0.40) P2RY12MAPK1KDM4EALDH1A1HPGD
SCHEMBL1640660 0.90 P2RY12 (0.40) P2RY12SMN1; SMN2GAATP53MAPT
SCHEMBL1639568 0.88 P2RY12 (0.39) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1640854 0.88 P2RY12 (0.44) P2RY12MAPK1MAPK3KDM4ESMN1; SMN2
SCHEMBL1639146 0.85 P2RY12 (0.52) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD

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 19 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-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 P2RY12 120/4885MAPK1 562/4885MAPK3 2351/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT P2RY12 20/4885MAPK1 3800/4885MAPK3 3012/4885

“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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