SCHEMBL12727501

SCHEMBL12727501

CCc1cc2c(=O)n(-c3ccc(C(=O)NC(C(=O)OC)c4ccc(Cl)s4)cc3)c(=O)[nH]c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.42
▸ GAA P10253 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.37
▸ HPGD P15428 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTR3A P46098 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL12727503 0.92 P2RY12 (0.42) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL12727407 0.88 P2RY12 (0.56) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL1639047 0.84 P2RY12 (0.54) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL12768218 0.84 P2RY12 (0.38) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL1640127 0.81 P2RY12 (0.53) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL12727435 0.80 P2RY12 (0.40) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL14273356 0.80 P2RY12 (0.40) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL12727437 0.79 P2RY12 (0.44) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL1640891 0.79 P2RY12 (0.57) P2RY12GAASMN1; SMN2NPC1TP53
SCHEMBL1640668 0.79 P2RY12 (0.56) P2RY12GAASMN1; SMN2NPC1TP53

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 120/4885GAA 4412/4885SMN1; SMN2 2226/4885

“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.

Send feedback