SCHEMBL4412880

SCHEMBL4412880

CC(c1cn[nH]c1)c1cn(CC(=O)N(CC(=O)[O-])Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(SCc2ccc(F)cc2)nc1=O.[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.56
CYP3A4 P08684 9/20 0.56
CYP2D6 P10635 7/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL4422094 0.93 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4426152 0.93 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6
SCHEMBL4415487 0.92 PLA2G7 (0.58) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4416544 0.91 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4414086 0.90 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4415554 0.90 PLA2G7 (0.65) PLA2G7CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5867425 0.90 PLA2G7 (0.64) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL3106244 0.89 PLA2G7 (0.72) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5867348 0.89 PLA2G7 (0.71) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4416217 0.89 PLA2G7 (0.65) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP claimed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US claimed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP claimed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 US claimed
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-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 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-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 PLA2G7 43/4885CYP3A4 1555/4885CYP2D6 999/4885

“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.