SCHEMBL12727434

SCHEMBL12727434

Cc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(c4noc(=O)[nH]4)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.41
▸ TP53 P04637 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR3A P46098 3/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ MEN1 O00255 2/20 0.30

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
SCHEMBL12727491 1.00 P2RY12 (0.41) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL12727441 0.93 P2RY12 (0.40) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL1640123 0.91 P2RY12 (0.52) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL1640124 0.91 P2RY12 (0.52) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL1640638 0.91 P2RY12 (0.52) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL1640671 0.90 P2RY12 (0.48) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL12727415 0.88 P2RY12 (0.42) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL12727433 0.87 P2RY12 (0.42) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL12768891 0.85 P2RY12 (0.44) P2RY12TP53MAPTHTR3ARXFP1
SCHEMBL1640630 0.84 P2RY12 (0.51) P2RY12TP53MAPTHTR3ARXFP1

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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