SCHEMBL12727503

SCHEMBL12727503

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.42
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.40
▸ GAA P10253 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTR3A P46098 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL12727501 0.92 P2RY12 (0.42) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1640127 0.89 P2RY12 (0.53) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1640891 0.87 P2RY12 (0.57) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1639714 0.83 GAA (0.48) TP53MAPTRXFP1GAAKMT2A
SCHEMBL1640093 0.83 P2RY12 (0.44) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1639024 0.82 P2RY12 (0.37) P2RY12TP53MAPTRXFP1GAA
SCHEMBL12768223 0.82 P2RY12 (0.38) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1640664 0.81 SMN1; SMN2 (0.38) P2RY12TP53MAPTRXFP1GAA
SCHEMBL1639047 0.81 P2RY12 (0.54) P2RY12TP53MAPTRXFP1GAA
SCHEMBL12727437 0.81 P2RY12 (0.44) P2RY12TP53MAPTRXFP1GAA

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 120/4885TP53 3875/4885MAPT 4611/4885

“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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