SCHEMBL12727445

SCHEMBL12727445

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(c4nsc(=O)[nH]4)c4ccc(C)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.44
▸ TP53 P04637 4/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.34
▸ HTR3A P46098 3/20 0.34
▸ LMNA P02545 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ GAA P10253 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GLA P06280 2/20 0.31

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
SCHEMBL1640870 0.92 P2RY12 (0.52) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12727424 0.88 P2RY12 (0.44) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12768891 0.88 P2RY12 (0.44) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12768884 0.86 P2RY12 (0.43) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12768050 0.85 P2RY12 (0.49) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12727433 0.84 P2RY12 (0.42) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL1640535 0.84 P2RY12 (0.48) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL12768893 0.82 P2RY12 (0.47) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13074287 0.81 P2RY12 (0.46) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL1639146 0.80 P2RY12 (0.52) P2RY12TP53MAPTRXFP1HTR3A

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 2 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-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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