SCHEMBL14656154

SCHEMBL14656154

FC(F)(F)c1cc(Oc2ccc(I)nc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.48
PLA2G7 Q13093 6/20 0.43
PIK3CA P42336 1/20 0.42
KDR P35968 4/20 0.41
BRAF P15056 2/20 0.41
RAF1 P04049 2/20 0.41
NOTUM Q6P988 1/20 0.40
AR P10275 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
AURKA O14965 1/20 0.39
MUSK O15146 1/20 0.39
EPHB6 O15197 1/20 0.39
MAPK13 O15264 1/20 0.39
MLNR O43193 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL14656102 0.82 CDK8 (0.67) CDK8PIK3CAKDRBRAFRAF1
SCHEMBL876907 0.80 KDR (0.52) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL18235652 0.80 AR (0.49) CDK8KDRBRAFRAF1AR
SCHEMBL878029 0.79 CDK8 (0.48) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL875404 0.79 CDK8 (0.48) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL875844 0.79 CDK8 (0.46) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL876144 0.77 CDK8 (0.46) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL875734 0.77 AR (0.51) CDK8PLA2G7PIK3CAKDRNOTUM
SCHEMBL876889 0.77 CDK8 (0.48) CDK8PLA2G7PIK3CAKDRBRAF
SCHEMBL14656448 0.77 CDK8 (0.47) CDK8PLA2G7PIK3CAKDRBRAF

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 11 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

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 1601/4885PLA2G7 1/4885PIK3CA 506/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 CDK8 2630/4885PLA2G7 2/4885PIK3CA 580/4885

“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.