SCHEMBL9892536

SCHEMBL9892536

N=C(N)OCCc1ccc(Oc2cnc(C(F)(F)F)nc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
PPARD Q03181 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.31
NR3C2 P08235 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
PLA2G7 Q13093 1/20 0.30
TAAR5 O14804 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL9889532 0.86 GRM2 (0.38) S1PR1S1PR3PPARDROCK2ROCK1
SCHEMBL9892553 0.85
SCHEMBL9106578 0.83 FAAH (0.37) PLA2G7
SCHEMBL9104846 0.82 S1PR1 (0.36) S1PR1S1PR3PPARDROCK2ROCK1
SCHEMBL876409 0.80 TTR (0.40) S1PR1PPARDROCK2ROCK1PLA2G7
SCHEMBL9107362 0.78 SCN9A (0.45) PLA2G7
SCHEMBL9105782 0.77 PPARD (0.34) PPARDROCK2ROCK1PLA2G7
SCHEMBL9105791 0.77 PPARD (0.37) PPARDPLA2G7
SCHEMBL9105553 0.76 ALOX5AP (0.38)
SCHEMBL9889459 0.73 HTR2A (0.38) S1PR1S1PR3ROCK2ROCK1KMT2A

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 6 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-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 S1PR1 215/4885S1PR3 291/4885PPARD 806/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B S1PR1 142/4885S1PR3 235/4885PPARD 559/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B S1PR1 141/4885S1PR3 233/4885PPARD 488/4885

“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.