SCHEMBL9923442

SCHEMBL9923442

COc1ncc(Cn2cc(Cl)c(OCCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)nc2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 8/20 0.42
P2RX7 Q99572 3/20 0.41
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
NPBWR1 P48145 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHB4 P54760 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL9923523 0.87 P2RX3 (0.42) P2RX7NPBWR1
SCHEMBL15262248 0.84 PLA2G7 (0.37) PLA2G7P2RX7KDR
SCHEMBL15262940 0.82 CYP1A2 (0.37) PLA2G7P2RX7NPBWR1CYP3A4CYP2D6
SCHEMBL15262949 0.81 P2RX3 (0.40) PLA2G7P2RX7NPBWR1
SCHEMBL9923447 0.78 P2RX3 (0.40)
SCHEMBL9905823 0.78 PLA2G7 (0.39) PLA2G7P2RX7
SCHEMBL9904787 0.77 PLA2G7 (0.46) PLA2G7
SCHEMBL15277323 0.73 P2RX3 (0.39) NPBWR1
SCHEMBL9905826 0.73 P2RX3 (0.39) P2RX7CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL9904751 0.73 PLA2G7 (0.44) PLA2G7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO 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 (1 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B PLA2G7 6/4885P2RX7 969/4885KDR 1031/4885

“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.