SCHEMBL4412334

SCHEMBL4412334

O=CC(Cc1cncnc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
VNN1 O95497 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TBXAS1 P24557 2/20 0.33
CPB2 Q96IY4 1/20 0.33
CPA1 P15085 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC7A5 Q01650 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
CYP1A2 P05177 1/20 0.31
ERN1 O75460 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CTSL P07711 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ACE P12821 1/20 0.30
CYP2C9 P11712 1/20 0.30
NAMPT P43490 1/20 0.30
BCAT2 O15382 1/20 0.30

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
SCHEMBL2568949 0.81 KDM4E (0.54) KDM4ETBXAS1CYP3A4NAPRTCYP1A2
SCHEMBL9106940 0.79 NLRP3 (0.43) VNN1ERN1NLRP3CTSL
SCHEMBL4416145 0.78 NLRP3 (0.35) KDM4ECPB2CYP3A4CYP1A2NLRP3
SCHEMBL9900895 0.76 LDHA (0.36) CPB2CPA1
SCHEMBL2569989 0.76 LDHA (0.40) VNN1
SCHEMBL2561452 0.76 CYP1A2 (0.57) CPB2CPA1HSD17B10SLC7A5CYP1A2
SCHEMBL5302993 0.74 SLC7A5 (0.57) KDM4EHSD17B10CYP3A4SLC7A5CYP2C9
SCHEMBL13585683 0.74 SLC7A5 (0.57) KDM4EHSD17B10CYP3A4SLC7A5CYP2C9
SCHEMBL7005064 0.73 GRN (0.39) HSD17B10
SCHEMBL11022295 0.73 TSHR (0.46) VNN1KDM4ETBXAS1CPB2CPA1

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 13 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-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 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-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 HCAR2 1594/4885VNN1 821/4885KDM4E 3156/4885
US-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 HCAR2 1096/4885VNN1 590/4885KDM4E 3629/4885

“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.