SCHEMBL14656341

SCHEMBL14656341

CN1CCCn2c1cc(OCCc1cccc(F)c1F)nc2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.42
PDE4A P27815 4/20 0.40
MAOB P27338 2/20 0.38
ACHE P22303 1/20 0.34
CHRNA7 P36544 1/20 0.34
ADORA2A P29274 1/20 0.33
CXCR2 P25025 4/20 0.33
CXCR1 P25024 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL14656139 0.90 GPR84 (0.50) GPR84PDE4AMAOBADORA2ACXCR2
SCHEMBL14656086 0.84 GPR84 (0.36) GPR84PDE4AMAOBACHECHRNA7
SCHEMBL14656242 0.83 GPR84 (0.40) GPR84PDE4AACHECHRNA7KDM4E
SCHEMBL14663729 0.83 GPR84 (0.52) GPR84PDE4AMAOBKDM4EALDH1A1
SCHEMBL15901714 0.83 GPR84 (0.39) GPR84PDE4AMAOBCXCR2OPRM1
SCHEMBL14656158 0.82 ELOVL1 (0.45) GPR84ACHECHRNA7
SCHEMBL14656180 0.80 GPR84 (0.39) GPR84PDE4AACHECHRNA7
SCHEMBL14656057 0.77 GPR84 (0.35) GPR84PDE4AMAOBADORA2ACXCR2
SCHEMBL14656332 0.77 GPR84 (0.44) GPR84MAOBACHECHRNA7ADORA2A
SCHEMBL14656278 0.77 GPR84 (0.39) GPR84

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 GPR84 911/4885PDE4A 260/4885MAOB 356/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 GPR84 847/4885PDE4A 278/4885MAOB 474/4885

“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.