SCHEMBL9106639

SCHEMBL9106639

N=C(N)OCCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
SCN9A Q15858 9/20 0.42
FPR2 P25090 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CSF1R P07333 1/20 0.37
FAAH O00519 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
GRM5 P41594 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9106578 0.86 FAAH (0.37) PLAAT3PLAAT5PLAAT2PLAAT4FAAH
SCHEMBL9108302 0.82 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9105909 0.81 IDO1 (0.46)
SCHEMBL9889510 0.81 P2RX3 (0.40) EGLN1OPRM1OPRD1OPRK1ACACB
SCHEMBL9892512 0.80 SMN1; SMN2 (0.37) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9108961 0.80 PLAAT3 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9889513 0.79 ACACB (0.37) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL9892546 0.78 F10 (0.44) SCN9AFPR2OPRM1
SCHEMBL9892562 0.78 LIPE (0.50) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL4375266 0.77 ST14 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A

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 13 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-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
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

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 PLAAT3 56/4885PLAAT5 36/4885PLAAT2 8/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 PLAAT3 56/4885PLAAT5 36/4885PLAAT2 8/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLAAT3 60/4885PLAAT5 36/4885PLAAT2 19/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PLAAT3 59/4885PLAAT5 36/4885PLAAT2 19/4885

“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.