SCHEMBL9892546

SCHEMBL9892546

N=C(N)OCCc1ccc(Oc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.44
F2 P00734 4/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
SCN9A Q15858 2/20 0.41
FPR2 P25090 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.40
LOX P28300 1/20 0.40
OPRM1 P35372 1/20 0.39
P2RX3 P56373 2/20 0.38
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE1 P56817 1/20 0.36
MGLL Q99685 1/20 0.36
BTK Q06187 3/20 0.35
SRC P12931 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9105553 0.83 ALOX5AP (0.38) SCN9AFPR2LOXL2LOXBACE1
SCHEMBL9107850 0.81 F2 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL9303796 0.81 LOXL2 (0.49) SCN9AFPR2LOXL2LOXBACE1
SCHEMBL9106650 0.81 LOXL2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL9892563 0.79 F2 (0.34) F10F2PRSS1PRSS2PRSS3
SCHEMBL9106639 0.78 PLAAT3 (0.48) SCN9AFPR2OPRM1
SCHEMBL9105909 0.77 IDO1 (0.46) MAOB
SCHEMBL9892562 0.76 LIPE (0.50) SCN9A
SCHEMBL9105853 0.76 LTA4H (0.46) F10F2MAOB
SCHEMBL9105297 0.75 LOXL2 (0.45) SCN9AFPR2LOXL2LOXP2RX3

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 F10 1372/4885F2 944/4885PRSS1 553/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B F10 3133/4885F2 1012/4885PRSS1 212/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B F10 3238/4885F2 1081/4885PRSS1 214/4885

“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.