SCHEMBL9105782

SCHEMBL9105782

[CH2]Cc1ccc(Oc2cnc(C(F)(F)F)nc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.34
PLA2G7 Q13093 2/20 0.34
AR P10275 1/20 0.33
HDAC1 Q13547 5/20 0.32
HDAC6 Q9UBN7 5/20 0.32
HDAC5 Q9UQL6 5/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
MET P08581 1/20 0.31
FFAR1 O14842 1/20 0.31
ALKBH1 Q13686 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL876409 0.86 TTR (0.40) PPARDPLA2G7ARROCK2ROCK1
SCHEMBL9105791 0.86 PPARD (0.37) PPARDPLA2G7HDAC1HDAC6HDAC5
SCHEMBL9104846 0.84 S1PR1 (0.36) PPARDPLA2G7ARROCK2ROCK1
SCHEMBL9107997 0.81 PLA2G7 (0.32) PLA2G7
SCHEMBL9901279 0.79 FAAH (0.36) SCN9A
SCHEMBL9109526 0.78 AR (0.33) AR
SCHEMBL9892536 0.77 S1PR1 (0.34) PPARDPLA2G7ROCK2ROCK1
SCHEMBL25000014 0.76 ALOX5AP (0.39) AR
SCHEMBL15920451 0.75 PLA2G7 (0.33) PLA2G7HDAC1HDAC6HDAC5ROCK2
SCHEMBL876362 0.75 ALDH1A1 (0.41) AR

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 9 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
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
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 PPARD 806/4885PLA2G7 6/4885AR 4068/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 PPARD 806/4885PLA2G7 6/4885AR 4068/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PPARD 559/4885PLA2G7 4/4885AR 3287/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B PPARD 488/4885PLA2G7 4/4885AR 3324/4885

“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.