SCHEMBL9105553

SCHEMBL9105553

N=C(N)OCCc1ccc(Oc2cccc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
P2RX7 Q99572 1/20 0.33
BACE1 P56817 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
MAOB P27338 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
SCHEMBL9889528 0.85 FFAR4 (0.37) FFAR4
SCHEMBL9105559 0.85 P2RX7 (0.44) ALOX5APFEN1FFAR4P2RX7HRH3
SCHEMBL9892546 0.83 F10 (0.44) BACE1LOXL2LOXFPR2SCN9A
SCHEMBL875387 0.83 ALOX5AP (0.40) ALOX5APFEN1FFAR4P2RX7HRH3
SCHEMBL876079 0.81 ALOX5AP (0.41) ALOX5APFEN1FFAR4BACE1LOXL2
SCHEMBL875359 0.78 ALOX5AP (0.40) ALOX5APFEN1FFAR4BACE1LOXL2
SCHEMBL9892536 0.76 S1PR1 (0.34)
SCHEMBL9107362 0.72 SCN9A (0.45) SCN9A
SCHEMBL9889532 0.71 GRM2 (0.38)
SCHEMBL875110 0.69 ALOX5AP (0.43) ALOX5APFEN1BACE1SCN9A

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 16 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
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-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-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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP 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
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
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 ALOX5AP 22/4885FEN1 1444/4885FFAR4 355/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 ALOX5AP 22/4885FEN1 1444/4885FFAR4 355/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALOX5AP 12/4885FEN1 527/4885FFAR4 588/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALOX5AP 13/4885FEN1 601/4885FFAR4 608/4885

“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.