SCHEMBL4963013

SCHEMBL4963013

N#Cc1cnc2c(Br)cc([N+](=O)[O-])cc2c1Nc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.51
ERBB2 P04626 4/20 0.51
MAP3K8 P41279 12/20 0.45
MAPKAPK2 P49137 2/20 0.44
SRC P12931 1/20 0.44
MAPK14 Q16539 1/20 0.44
LCK P06239 1/20 0.43
CYP3A4 P08684 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPK8 P45983 1/20 0.43
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1896697 0.83 EGFR (0.63) EGFRERBB2MAP3K8SRC
SCHEMBL6071960 0.83 MAP3K8 (0.51) EGFRERBB2MAP3K8
SCHEMBL6384817 0.83 EGFR (0.54) EGFRERBB2MAP3K8MEN1KMT2A
SCHEMBL4960986 0.83 EGFR (0.54) EGFRERBB2MAP3K8MAPKAPK2SRC
SCHEMBL1895110 0.80 EGFR (0.53) EGFRERBB2
SCHEMBL1891923 0.78 EGFR (0.62) EGFRERBB2
SCHEMBL6071727 0.77 PTK6 (0.50) EGFRERBB2SRC
SCHEMBL4960667 0.77 VCAM1 (0.41) EGFRERBB2CYP3A4
SCHEMBL4964463 0.77 MAP3K8 (0.59) EGFRERBB2MAP3K8MAPKAPK2SRC
SCHEMBL4960605 0.77 MAP3K8 (0.65) EGFRERBB2MAP3K8MAPKAPK2SRC

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 EGFR 4122/4885ERBB2 1721/4885MAP3K8 84/4885

“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.