SCHEMBL9106595

SCHEMBL9106595

N#C/C=C/c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.50
KDR P35968 4/20 0.43
ESRRA P11474 1/20 0.41
PLA2G7 Q13093 5/20 0.40
RAF1 P04049 1/20 0.39
CHEK2 O96017 2/20 0.38
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
NOTUM Q6P988 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9106606 1.00 AR (0.50) ARKDRESRRAPLA2G7RAF1
SCHEMBL9005576 0.84 NPFFR2 (0.47) KDRNPFFR1NPFFR2NOTUMHDAC1
SCHEMBL9005571 0.84 NPFFR2 (0.47) KDRNPFFR1NPFFR2NOTUMHDAC1
SCHEMBL17226674 0.82 AR (0.43) ARKDRPLA2G7RAF1CHEK2
SCHEMBL9889438 0.80 AR (0.42) ARKDRPLA2G7RAF1CHEK2
SCHEMBL29985730 0.79 AR (0.46) ARKDRRAF1CHEK2NPFFR1
SCHEMBL29984723 0.79 AR (0.46) ARKDRRAF1CHEK2NPFFR1
SCHEMBL876324 0.79 AR (0.46) ARKDRRAF1CHEK2NPFFR1
SCHEMBL875004 0.79 AR (0.46) ARKDRRAF1CHEK2NPFFR1
SCHEMBL365180 0.79 AR (0.60) ARKDRPLA2G7RAF1NOTUM

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-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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 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-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
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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 AR 4068/4885KDR 1173/4885ESRRA 3666/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 AR 4068/4885KDR 1173/4885ESRRA 3666/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3287/4885KDR 1120/4885ESRRA 3825/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3324/4885KDR 1061/4885ESRRA 3737/4885

“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.