SCHEMBL6071960

SCHEMBL6071960

CN(C)C(=O)c1cc([N+](=O)[O-])cc2c(Nc3cccc(Cl)c3)c(C#N)cnc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 5/20 0.51
EGFR P00533 13/20 0.48
ERBB2 P04626 7/20 0.48
STK4 Q13043 1/20 0.44
ALOX5 P09917 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
SCHEMBL6070809 0.86 MAP3K8 (0.53) MAP3K8EGFRERBB2STK4
SCHEMBL4963013 0.83 EGFR (0.51) MAP3K8EGFRERBB2
SCHEMBL6071202 0.80 KMT2A (0.45) MAP3K8
SCHEMBL6071770 0.80 MAP3K8 (0.50) MAP3K8EGFRERBB2STK4
SCHEMBL6071775 0.78 MAP3K8 (0.61) MAP3K8EGFRERBB2
SCHEMBL1896697 0.78 EGFR (0.63) MAP3K8EGFRERBB2STK4
SCHEMBL6384817 0.77 EGFR (0.54) MAP3K8EGFRERBB2STK4
SCHEMBL6071744 0.76 MAP3K8 (0.55) MAP3K8EGFRERBB2
SCHEMBL6071434 0.74 MAP3K8 (0.69) MAP3K8EGFRERBB2
SCHEMBL1895110 0.73 EGFR (0.53) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US 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.