SCHEMBL12727461

SCHEMBL12727461

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK3 P27361 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL1639033 0.92 P2RY12 (0.48) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12768944 0.89 MAPK1 (0.50) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12768943 0.87 P2RY12 (0.47) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12727407 0.84 P2RY12 (0.56) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1639567 0.83 P2RY12 (0.49) P2RY12KDM4ESMN1; SMN2TP53GAA
SCHEMBL1639086 0.83 P2RY12 (0.44) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL27756390 0.82 P2RY12 (0.53) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12727460 0.82 MAPK3 (0.42) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1639047 0.78 P2RY12 (0.54) P2RY12KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL1640891 0.78 P2RY12 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 120/4885KDM4E 4643/4885SMN1; SMN2 2226/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT P2RY12 20/4885KDM4E 4863/4885SMN1; SMN2 3677/4885

“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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