SCHEMBL4416144

SCHEMBL4416144

CCOC(=O)C=Cc1cnc(OC)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
FDPS P14324 1/20 0.55
MAOB P27338 1/20 0.54
DPP4 P27487 2/20 0.51
TTR P02766 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP3A4 P08684 1/20 0.49
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
ALOX5 P09917 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL4416140 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL20153730 0.89 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL20153503 0.85 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL9889434 0.85 KDM4E (0.54) CA12CA1CA2CA7CA9
SCHEMBL20153690 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1914006 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1914010 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL30018286 0.80 FDPS (0.61) CA12CA1CA2CA7CA9
SCHEMBL3870743 0.80 FDPS (0.61) CA12CA1CA2CA7CA9
SCHEMBL20153362 0.80 FDPS (0.61) CA12CA1CA2CA7CA9

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-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-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 US disclosed
EP-1105377-B1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-10-08 EP disclosed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US 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
EP-1175409-A1 PYRIMIDINONES DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
EP-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP disclosed
WO-2000068208-A1 PYRIMIDINONES DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-11-16 WO disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO 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 (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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C CA12 4871/4885CA1 4810/4885CA2 4296/4885
US-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 CA12 4278/4885CA1 4243/4885CA2 3152/4885

“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.