SCHEMBL14656172

SCHEMBL14656172

CN(CCCO)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 14/20 0.69
CA1 P00915 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 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
SCHEMBL1362732 0.72 GPR84 (0.53) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL28818278 0.70 GPR84 (0.51) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL2181657 0.69 GPR84 (0.50) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL10095166 0.67 GPR84 (0.53) GPR84CA1ALDH1A1LMNASMN1; SMN2
Orotic Acid SCHEMBL5429445 0.65 ALDH1A1 (0.66) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL27412187 0.65 GPR84 (0.66) GPR84ALDH1A1SMN1; SMN2
SCHEMBL3475870 0.62 GPR84 (0.44) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL27312293 0.61 GAA (0.46) GPR84CA1ALDH1A1
SCHEMBL27337028 0.60 GPR84 (0.41) GPR84CA1ALDH1A1LMNACYP1A2
SCHEMBL11121102 0.60 HPGD (0.36) ALDH1A1

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 911/4885CA1 4129/4885ALDH1A1 1690/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 GPR84 847/4885CA1 2914/4885ALDH1A1 2825/4885

“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.