SCHEMBL12768215

SCHEMBL12768215

CN(C(=O)OC(C)(C)C)c1cc2c(=O)n(-c3ccc(C(=O)O)cc3)c(=O)[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ RXFP1 Q9HBX9 3/20 0.37
▸ HTR3A P46098 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12768217 0.91 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14525736 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12768223 0.81 P2RY12 (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12768218 0.79 P2RY12 (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4417113 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12727496 0.75 TP53 (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12727421 0.75 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13634870 0.74 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12727376 0.72 P2RY12 (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL681267 0.72 P2RY12 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA

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 KDM4E 4643/4885ALDH1A1 284/4885HPGD 914/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT KDM4E 4863/4885ALDH1A1 1431/4885HPGD 232/4885

“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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