SCHEMBL6944094

SCHEMBL6944094

CCCCCCCCCCCn1cc(Cc2cnc(OC)nc2)c(=O)[nH]c1=S

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 9/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK10 P53779 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TK1 P04183 1/20 0.32

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
SCHEMBL6946487 0.91 KMT2A (0.38) PLA2G7CYP1A2CYP2C19KMT2AMEN1
SCHEMBL7009479 0.88 PLA2G7 (0.40) PLA2G7CYP1A2CYP2C19KMT2AMEN1
SCHEMBL7006453 0.84 PLA2G7 (0.49) PLA2G7CYP1A2CYP2C19KMT2AMEN1
SCHEMBL7005649 0.84 PLA2G7 (0.49) PLA2G7CYP1A2CYP2C19KMT2AMEN1
SCHEMBL5867433 0.84 TNF (0.43) PLA2G7
SCHEMBL7097514 0.75 PLA2G7 (0.43) PLA2G7CYP1A2CYP2C19KMT2AMEN1
SCHEMBL7008518 0.74 PLA2G7 (0.44) PLA2G7CYP1A2CYP2C19CYP2C9HTT
SCHEMBL7012715 0.73 PLA2G7 (0.54) PLA2G7
SCHEMBL7012983 0.72 EP300 (0.40) PLA2G7
SCHEMBL7010743 0.72 PLA2G7 (0.44) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP 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 (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 1/4885CYP1A2 1351/4885CYP2C19 784/4885

“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.