Sugi Predict

Sugi Predict / Compounds / SCHEMBL4416249

SCHEMBL4416249

SCHEMBL4416249

COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 20/20 1.00

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
SCHEMBL4415307 0.95 PLA2G7 (1.00) PLA2G7
SCHEMBL5867322 0.93 PLA2G7 (0.87) PLA2G7
SCHEMBL4419235 0.93 PLA2G7 (0.86) PLA2G7
SCHEMBL4411475 0.92 PLA2G7 (0.86) PLA2G7
SCHEMBL4415683 0.92 PLA2G7 (0.85) PLA2G7
SCHEMBL4415707 0.91 PLA2G7 (1.00) PLA2G7
SCHEMBL4412352 0.91 PLA2G7 (0.84) PLA2G7
SCHEMBL4414179 0.91 PLA2G7 (0.83) PLA2G7
SCHEMBL5867333 0.91 PLA2G7 (0.83) PLA2G7
SCHEMBL4415669 0.88 PLA2G7 (0.81) PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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