SCHEMBL9889459

SCHEMBL9889459

Cc1cc(Oc2ccc(CCOC(=N)N)cc2F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 3/20 0.37
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
MCL1 Q07820 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
BACE1 P56817 1/20 0.34
SCN9A Q15858 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL9889455 0.86 GPR84 (0.39) HTR2ASLC6A4KCNH2ICAM1SELE
SCHEMBL9107362 0.85 SCN9A (0.45) HTR2ASLC6A4KCNH2GPR84PPARG
SCHEMBL9108158 0.85 KMT2A (0.40) HTR2ASLC6A4KCNH2ICAM1SELE
SCHEMBL9889458 0.82 HTR2A (0.42) HTR2ASLC6A4KCNH2S1PR1S1PR3
SCHEMBL9889532 0.80 GRM2 (0.38) S1PR1S1PR3ROCK2ROCK1OPRM1
Trifluoromethanesulfonic Acid SCHEMBL9103071 0.79 SCN9A (0.46) GPR84PPARGSCN9A
SCHEMBL9106011 0.76 CHEK2 (0.40) HTR2ASLC6A4KCNH2ICAM1SELE
SCHEMBL9108061 0.76 FFAR4 (0.38) S1PR1S1PR3KMT2APPARG
SCHEMBL9889528 0.73 FFAR4 (0.37) ROCK2
SCHEMBL9892536 0.73 S1PR1 (0.34) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR2A 2226/4885SLC6A4 4517/4885KCNH2 3981/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HTR2A 1356/4885SLC6A4 4053/4885KCNH2 4294/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B HTR2A 1307/4885SLC6A4 4150/4885KCNH2 4242/4885

“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.