SCHEMBL876889

SCHEMBL876889

O=Cc1ncc(Oc2ccc(Cl)c(C(F)(F)F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.48
RAF1 P04049 7/20 0.42
KDR P35968 4/20 0.42
PLA2G7 Q13093 2/20 0.41
PIK3CA P42336 1/20 0.41
BRAF P15056 2/20 0.40
CHEK2 O96017 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
PDE6D O43924 1/20 0.40
NR1I2 O75469 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
SCHEMBL878029 0.85 CDK8 (0.48) CDK8RAF1KDRPLA2G7PIK3CA
SCHEMBL29985730 0.80 AR (0.46) CDK8RAF1KDRBRAFCHEK2
SCHEMBL875004 0.80 AR (0.46) CDK8RAF1KDRBRAFCHEK2
SCHEMBL883449 0.80 CHEK2 (0.46) CDK8RAF1KDRBRAFCHEK2
SCHEMBL876289 0.78 CHEK2 (0.47) CDK8RAF1KDRBRAFCHEK2
SCHEMBL876144 0.78 CDK8 (0.46) CDK8RAF1KDRPLA2G7PIK3CA
SCHEMBL875734 0.78 AR (0.51) CDK8KDRPLA2G7PIK3CAAR
SCHEMBL875480 0.77 ALDH1A1 (0.62) CDK8KDRPLA2G7BRAF
SCHEMBL14656154 0.77 CDK8 (0.48) CDK8RAF1KDRPLA2G7PIK3CA
SCHEMBL14656102 0.77 CDK8 (0.67) CDK8RAF1KDRPIK3CABRAF

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 681/4885RAF1 2513/4885KDR 1285/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CDK8 681/4885RAF1 2513/4885KDR 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.