SCHEMBL876144

SCHEMBL876144

OCc1ncc(Oc2ccc(Cl)c(C(F)(F)F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.46
PLA2G7 Q13093 5/20 0.43
KDR P35968 4/20 0.42
RAF1 P04049 3/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PIK3CA P42336 1/20 0.41
NOTUM Q6P988 1/20 0.40
BRAF P15056 2/20 0.40
MEN1 O00255 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
AURKA O14965 1/20 0.40
MUSK O15146 1/20 0.40
EPHB6 O15197 1/20 0.40
MAPK13 O15264 1/20 0.40
MLNR O43193 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
DYRK3 O43781 1/20 0.40

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
SCHEMBL875404 0.85 CDK8 (0.48) CDK8PLA2G7KDRRAF1PPARG
SCHEMBL877311 0.81 PPARG (0.46) CDK8PLA2G7KDRRAF1PPARG
SCHEMBL875819 0.80 NOTUM (0.47) CDK8PLA2G7KDRRAF1PPARG
SCHEMBL875664 0.80 IDO1 (0.50) PLA2G7KDRRAF1PPARGPPARA
SCHEMBL29918384 0.80 IDO1 (0.50) PLA2G7KDRRAF1PPARGPPARA
SCHEMBL876006 0.78 PPARG (0.44) PLA2G7KDRRAF1PPARGPPARA
SCHEMBL875734 0.78 AR (0.51) CDK8PLA2G7KDRPIK3CANOTUM
SCHEMBL876889 0.78 CDK8 (0.48) CDK8PLA2G7KDRRAF1PIK3CA
SCHEMBL875076 0.77 PLA2G7 (0.44) PLA2G7KDRPPARGPPARABRAF
SCHEMBL14656102 0.77 CDK8 (0.67) CDK8KDRRAF1PIK3CABRAF

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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CDK8 681/4885PLA2G7 22/4885KDR 1285/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CDK8 681/4885PLA2G7 22/4885KDR 1285/4885

“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.