SCHEMBL4960607

SCHEMBL4960607

CN(c1cccnc1)c1cc(Br)c2ncc(C#N)c(Nc3cccc(Cl)c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 10/20 0.53
EGFR P00533 11/20 0.48
ERBB2 P04626 3/20 0.48
MAPKAPK2 P49137 2/20 0.42
LCK P06239 1/20 0.42
CYP3A4 P08684 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK8 P45983 1/20 0.42
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRM5 P41594 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
SCHEMBL4963903 0.92 MAP3K8 (0.56) MAP3K8EGFRERBB2GRM5
SCHEMBL4962462 0.90 MAP3K8 (0.53) MAP3K8EGFRERBB2GRM5
SCHEMBL4960392 0.89 MAP3K8 (0.69) MAP3K8EGFRMAPKAPK2LCKCYP3A4
SCHEMBL6071770 0.86 MAP3K8 (0.50) MAP3K8EGFRERBB2GRM5
SCHEMBL4959712 0.85 MAP3K8 (0.62) MAP3K8EGFRERBB2SRCMAPK14
SCHEMBL27728093 0.84 MAP3K8 (0.49) MAP3K8EGFRERBB2GRM5
SCHEMBL4960756 0.83 EGFR (0.48) MAP3K8EGFRERBB2
SCHEMBL6071741 0.81 CNR2 (0.46) MAP3K8EGFRERBB2CYP3A4MAPK14
SCHEMBL6071264 0.81 MAP3K8 (0.72) MAP3K8EGFRMAPKAPK2CYP3A4SRC
SCHEMBL4766908 0.80 MAP3K8 (0.79) MAP3K8EGFRERBB2SRCMAPK14

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 4122/4885ERBB2 1721/4885

“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.