SCHEMBL14656347

SCHEMBL14656347

O=c1nc(OCc2ccc(Oc3ccc(F)cc3)c(F)c2)cc2n1CCCN2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 8/20 0.43
GPR84 Q9NQS5 6/20 0.38
IL6 P05231 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
GRM5 P41594 1/20 0.34
SCN9A Q15858 1/20 0.34
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE4A P27815 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
SCHEMBL14656351 0.92 PLA2G7 (0.45) PLA2G7GPR84GRM5
SCHEMBL14656217 0.90 PLA2G7 (0.42) PLA2G7GPR84GRM5SCN9A
SCHEMBL14656243 0.89 PLA2G7 (0.45) PLA2G7GPR84
SCHEMBL14670137 0.86 PLA2G7 (0.46) PLA2G7GPR84
SCHEMBL14656307 0.86 PLA2G7 (0.62) PLA2G7
SCHEMBL14656257 0.85 PLA2G7 (0.45) PLA2G7GRM5
SCHEMBL14656498 0.85 GRM5 (0.41) PLA2G7GPR84GRM5PDE4A
SCHEMBL14669907 0.85 PLA2G7 (0.43) PLA2G7GPR84PDE4A
SCHEMBL14656119 0.84 PLA2G7 (0.39) PLA2G7GPR84GRM5KCNH2MCHR1
SCHEMBL15825463 0.84 PLA2G7 (0.51) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 EP disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 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 (2 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B PLA2G7 1/4885GPR84 911/4885IL6 2305/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 PLA2G7 2/4885GPR84 847/4885IL6 3317/4885

“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.