SCHEMBL14656602

SCHEMBL14656602

CN1CCCn2c1cc(OCc1ccc(C(F)(F)F)cc1)nc2=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 10/20 0.44
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SRD5A1 P18405 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL14656123 0.89 GPR84 (0.42) PLA2G7MCHR1KCNH2GPR84
SCHEMBL14656336 0.89 MAOB (0.48) PLA2G7GPR84MAOBMAOA
SCHEMBL14656083 0.88 GPR84 (0.44) PLA2G7MCHR1KCNH2GPR84HRH3
SCHEMBL15832702 0.88 GPR84 (0.42) PLA2G7GPR84
SCHEMBL14656424 0.87 PLA2G7 (0.56) PLA2G7
SCHEMBL14656093 0.87 PLA2G7 (0.49) PLA2G7
SCHEMBL14656067 0.85 PLA2G7 (0.48) PLA2G7GPR84
SCHEMBL14656171 0.85 PLA2G7 (0.46) PLA2G7
SCHEMBL14656168 0.85 PLA2G7 (0.55) PLA2G7MAOB
SCHEMBL14656161 0.84 PLA2G7 (0.56) PLA2G7MCHR1KCNH2GPR84

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 10 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-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 1/4885MCHR1 4755/4885KCNH2 4325/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 PLA2G7 2/4885MCHR1 4663/4885KCNH2 4254/4885

“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.