SCHEMBL4960770

SCHEMBL4960770

N#Cc1cnc2c(C(F)(F)F)cc(NCc3cccc[n+]3[O-])cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 20/20 0.85
EGFR P00533 5/20 0.85
MAPKAPK2 P49137 3/20 0.85
CYP3A4 P08684 2/20 0.85
SRC P12931 3/20 0.56
PRKACA P17612 2/20 0.56
PRKACG P22612 2/20 0.56
PRKACB P22694 2/20 0.56
MAPK14 Q16539 2/20 0.56
IKBKB O14920 1/20 0.56
MMP3 P08254 1/20 0.56
PRKCA P17252 1/20 0.56

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
SCHEMBL4961645 0.92 MAP3K8 (1.00) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4960405 0.91 MAP3K8 (0.92) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4960723 0.86 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4960280 0.86 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4962409 0.85 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4960437 0.83 MAP3K8 (0.75) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4962413 0.83 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4961579 0.83 MAP3K8 (0.84) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4961009 0.83 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4963290 0.82 MAP3K8 (0.73) MAP3K8EGFRMAPKAPK2CYP3A4SRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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 (1 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 MAP3K8 84/4885EGFR 4122/4885MAPKAPK2 110/4885

“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.