SCHEMBL9889489

SCHEMBL9889489

Cc1ccc(Oc2ccc(CO)cc2C#N)nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.42
AR P10275 3/20 0.41
SCN9A Q15858 3/20 0.39
S1PR1 P21453 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL9889490 0.87 SLC22A12 (0.41) XDHARSCN9ASLC22A12
SCHEMBL875188 0.85 XDH (0.42) XDHARSCN9AS1PR1SLC22A12
SCHEMBL17460303 0.85 AR (0.41) XDHARSCN9AS1PR1IKBKE
SCHEMBL30997487 0.81 L3MBTL1 (0.50) ARSCN9AS1PR1
SCHEMBL875974 0.81 L3MBTL1 (0.50) ARSCN9AS1PR1
SCHEMBL17460250 0.81 AR (0.42) XDHARSCN9AS1PR1IKBKE
SCHEMBL15832084 0.79 AR (0.48) XDHARSCN9AS1PR1SLC22A12
SCHEMBL875366 0.77 AR (0.49) XDHARSCN9ASLC22A12IKBKE
SCHEMBL9889488 0.77 S1PR3 (0.44) XDHSCN9AS1PR1SLC22A12
SCHEMBL10054035 0.76 MAP4K4 (0.48) ARSCN9A

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 XDH 2208/4885AR 4068/4885SCN9A 4224/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B XDH 1014/4885AR 3287/4885SCN9A 4695/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B XDH 986/4885AR 3324/4885SCN9A 4668/4885

“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.