SCHEMBL12768218

SCHEMBL12768218

COC(=O)C(NC(=O)c1ccc(-n2c(=O)[nH]c3cc(F)c(N(C)C(=O)OC(C)(C)C)cc3c2=O)cc1)c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.38
▸ TP53 P04637 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HTR3A P46098 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ GLA P06280 1/20 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
SCHEMBL12768223 0.94 P2RY12 (0.38) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL12727501 0.84 P2RY12 (0.42) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL12727407 0.82 P2RY12 (0.56) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL12768217 0.81 ALDH1A1 (0.41) TP53SMN1; SMN2HTR3AKMT2AMEN1
SCHEMBL12768215 0.79 KDM4E (0.40) TP53SMN1; SMN2HTR3AKMT2AMEN1
SCHEMBL1640127 0.76 P2RY12 (0.53) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL12727503 0.76 P2RY12 (0.42) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL1639047 0.76 P2RY12 (0.54) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL12727437 0.75 P2RY12 (0.44) P2RY12TP53SMN1; SMN2HTR3AKMT2A
SCHEMBL1640891 0.75 P2RY12 (0.57) P2RY12TP53SMN1; SMN2HTR3AKMT2A

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 6 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-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
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 120/4885TP53 3875/4885SMN1; SMN2 2226/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT P2RY12 20/4885TP53 4347/4885SMN1; 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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