SCHEMBL4712981

SCHEMBL4712981

CC(c1cccc(F)c1F)c1nc(=O)c2cccnc2n1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4718291 0.92 PTGDR2 (0.42) PTGDR2MAPTTP53MEN1KMT2A
SCHEMBL4846342 0.88 MEN1 (0.48) MAPTCYP2C9MEN1KMT2AKDM4E
SCHEMBL4718149 0.82 TP53 (0.45) PTGDR2MAPTTP53PTGDRRXFP1
SCHEMBL2807725 0.75 CYP2C9 (0.55) PTGDR2MAPTCYP2C9MEN1KMT2A
SCHEMBL4718292 0.71 CYP2C9 (0.48) PTGDR2MAPTCYP2C9KDM4ERXFP1
SCHEMBL2804576 0.68 CYP2C9 (0.40) PTGDR2MAPTTP53CYP2C9MEN1
SCHEMBL4718153 0.67 MAPT (0.48) PTGDR2MAPTTP53CYP2C9PTGDR
SCHEMBL4846348 0.67 CYP2C9 (0.53) MAPTCYP2C9MEN1KMT2AKDM4E
SCHEMBL3456512 0.67 PLA2G7 (0.39) PTGDR2MAPTTP53CYP2C9MEN1
SCHEMBL2802492 0.66 PTGDR2 (0.42) PTGDR2MAPTTP53CYP2C9PTGDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis TYMP, LPL, PLAT PTGDR2 151/4885MAPT 4465/4885TP53 4752/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B PTGDR2 113/4885MAPT 4816/4885TP53 4768/4885

“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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