SCHEMBL4418525

SCHEMBL4418525

O=c1[nH]c(SCc2ccc(F)cc2)ncc1Cc1cncnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 1.00
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.46
DAO P14920 3/20 0.46

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
SCHEMBL7585604 0.88 PLA2G7 (0.78) PLA2G7MAOBMAPTDAO
SCHEMBL7007528 0.88 PLA2G7 (1.00) PLA2G7DAO
SCHEMBL4423257 0.86 PLA2G7 (0.76) PLA2G7MAOBDAO
SCHEMBL4415191 0.85 PLA2G7 (0.74) PLA2G7MAOBMAPTDAO
SCHEMBL4419405 0.85 PLA2G7 (0.73) PLA2G7MAOBMAPTDAO
SCHEMBL4418872 0.84 PLA2G7 (0.72) PLA2G7MAOBMAPTDAO
SCHEMBL4423080 0.84 PLA2G7 (0.72) PLA2G7MAOBMAPT
SCHEMBL3545058 0.83 PLA2G7 (0.71) PLA2G7MAOBMAPTDAO
SCHEMBL7582759 0.83 PLA2G7 (0.71) PLA2G7MAOBMAPTDAO
SCHEMBL7011666 0.83 PLA2G7 (0.71) PLA2G7MAOBDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP claimed
EP-1296915-A1 METHOD FOR TRANSFERRING ALKYLIDENE GROUPS TO ORGANIC COMPOUNDS MERCK PATENT GmbH (DE) 2003-04-02 EP claimed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US claimed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US claimed
WO-2002000576-A1 METHOD FOR TRANSFERRING ALKYLIDENE GROUPS TO ORGANIC COMPOUNDS MERCK PATENT GMBH (DE) 2002-01-03 WO claimed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP claimed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO claimed
EP-0559885-B1 CATALYSTS AND PROCESS FOR THE PREPARATION OF SAME FOR USE IN THE POLYMERISATION OF ETHYLENE ENICHEM POLYMERES FRANCE (FR) 1996-04-10 EP claimed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
EP-1296915-A1 METHOD FOR TRANSFERRING ALKYLIDENE GROUPS TO ORGANIC COMPOUNDS MERCK PATENT GmbH (DE) 2003-04-02 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
WO-2002000576-A1 METHOD FOR TRANSFERRING ALKYLIDENE GROUPS TO ORGANIC COMPOUNDS MERCK PATENT GMBH (DE) 2002-01-03 WO disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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 (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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C PLA2G7 1/4885MAOB 486/4885MAPT 4520/4885

“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.