SCHEMBL9889646

SCHEMBL9889646

Cc1cccc(Oc2ccc(CCSc3nc(=O)c(Cc4cncnc4)c[nH]3)cc2C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.34
PLA2G7 Q13093 5/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
BRD4 O60885 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LYN P07948 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9889633 0.92 BRD4 (0.38) ARPLA2G7FNTAFNTBPGGT1B
SCHEMBL9889651 0.90 AR (0.36) ARPLA2G7FNTAFNTBPGGT1B
SCHEMBL9892573 0.89 PLA2G7 (0.35) PLA2G7FNTAFNTBPGGT1BSMN1; SMN2
SCHEMBL9889660 0.88 SLC22A12 (0.37) ARPLA2G7FNTAFNTBPGGT1B
SCHEMBL9103235 0.84 PLA2G7 (0.48) ARPLA2G7
SCHEMBL9889637 0.82 BRD4 (0.40) ARPLA2G7BRD4SMN1; SMN2LYN
SCHEMBL9889635 0.81 BRD4 (0.42) ARFNTAFNTBPGGT1BBRD4
SCHEMBL9889631 0.81 BRD4 (0.37) ARPLA2G7FNTAFNTBPGGT1B
SCHEMBL9107454 0.81 MEN1 (0.40) PLA2G7FNTAFNTBPGGT1BSMN1; SMN2
SCHEMBL9106247 0.80 CYP1A2 (0.34) ARPLA2G7FNTAFNTBPGGT1B

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 AR 4068/4885PLA2G7 6/4885FNTA 531/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3287/4885PLA2G7 4/4885FNTA 1061/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3324/4885PLA2G7 4/4885FNTA 1109/4885

“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.