SCHEMBL14656102

SCHEMBL14656102

Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.67
MPO P05164 1/20 0.54
TPO P07202 1/20 0.54
EPX P11678 1/20 0.54
LPO P22079 1/20 0.54
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.47
LTA4H P09960 1/20 0.44
CDK7 P50613 1/20 0.44
CDK6 Q00534 1/20 0.44
RAF1 P04049 1/20 0.43
CHEK2 O96017 2/20 0.42
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL3457827 0.83 CDK8 (0.49) CDK8PIK3CDPIK3CARAF1BRAF
SCHEMBL14656154 0.82 CDK8 (0.48) CDK8PIK3CACDK7CDK6RAF1
SCHEMBL28863201 0.81 CDK8 (1.00) CDK8CDK7CDK6RAF1BRAF
SCHEMBL28863217 0.80 CDK8 (1.00) CDK8CDK7CDK6
SCHEMBL29996391 0.80 CDK8 (1.00) CDK8CDK7CDK6
SCHEMBL876907 0.80 KDR (0.52) CDK8PIK3CABRAFKDR
SCHEMBL6511184 0.80 MAOA (0.50) CDK8PIK3CARAF1CHEK2BRAF
SCHEMBL3637709 0.80 MPO (0.61) CDK8MPOTPOEPXLPO
SCHEMBL878029 0.79 CDK8 (0.48) CDK8PIK3CACDK7CDK6RAF1
SCHEMBL875404 0.79 CDK8 (0.48) CDK8PIK3CACDK7CDK6RAF1

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 CDK8 1601/4885MPO 332/4885TPO 1069/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 CDK8 2630/4885MPO 276/4885TPO 2409/4885

“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.