SCHEMBL9892576

SCHEMBL9892576

O=c1nc(NCCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)[nH]cc1Cc1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.42
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
CSF1R P07333 2/20 0.35
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
FES P07332 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
ACP1 P24666 1/20 0.34
PPARA Q07869 1/20 0.33
KIT P10721 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PLAAT3 P53816 2/20 0.33
PLAAT5 Q96KN8 2/20 0.33
PLAAT2 Q9NWW9 2/20 0.33
PLAAT4 Q9UL19 2/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL9103617 0.91 PLA2G7 (0.42) PLA2G7LTA4HEPHX2SCN9AFES
SCHEMBL9103948 0.89 PLA2G7 (0.42) PLA2G7LTA4HEPHX2
SCHEMBL9106013 0.88 PLA2G7 (0.57) PLA2G7KDR
SCHEMBL9889711 0.87 MAPT (0.36) PLA2G7EPHX2FESFGFR1FLT4
SCHEMBL9107107 0.87 CYP3A4 (0.41) PLA2G7LTA4HEPHX2FESFGFR1
SCHEMBL15451119 0.83 PLA2G7 (0.44) PLA2G7FESFGFR1FLT4KDR
SCHEMBL9889718 0.83 LYN (0.39) PLA2G7LTA4HEPHX2FESFGFR1
SCHEMBL9892557 0.82 PLAAT3 (0.44) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9107940 0.80 PLAAT3 (0.42) CSF1RSCN9APLAAT3PLAAT5PLAAT2
SCHEMBL9108510 0.80 CSF1R (0.37) LTA4HEPHX2CSF1RSCN9AACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 PLA2G7 6/4885LTA4H 15/4885EPHX2 288/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885LTA4H 14/4885EPHX2 425/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLA2G7 4/4885LTA4H 18/4885EPHX2 419/4885

“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.