SCHEMBL14656372

SCHEMBL14656372

COc1ccc(CCOc2cc3n(c(=O)n2)CCCN3C)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.48
ADORA2A P29274 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOB P27338 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ALOX5 P09917 1/20 0.40
PRKDC P78527 1/20 0.40
ACHE P22303 1/20 0.40
CHRNA7 P36544 1/20 0.40
PDE4A P27815 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL14656158 0.89 ELOVL1 (0.45) GPR84ACHECHRNA7
SCHEMBL14656332 0.88 GPR84 (0.44) GPR84ADORA2AADORA3MAOBHRH3
SCHEMBL14656396 0.85 GPR84 (0.42) GPR84HRH3ALOX5ACHECHRNA7
SCHEMBL14656123 0.85 GPR84 (0.42) GPR84ALOX5ACHECHRNA7
SCHEMBL14656278 0.85 GPR84 (0.39) GPR84
SCHEMBL14656453 0.83 PLA2G7 (0.44) GPR84MAOB
SCHEMBL14656213 0.81 GPR84 (0.39) GPR84HRH3
SCHEMBL14656143 0.81 PLA2G7 (0.57)
SCHEMBL14656369 0.80 PLA2G7 (0.36) GPR84HRH3
SCHEMBL14656086 0.79 GPR84 (0.36) GPR84MAOBACHECHRNA7PDE4A

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 911/4885ADORA2A 470/4885ADORA3 1111/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 GPR84 847/4885ADORA2A 698/4885ADORA3 1698/4885

“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.