SCHEMBL4959780

SCHEMBL4959780

COc1cc([N+](=O)[O-])cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.64
ERBB2 P04626 6/20 0.64
MAP3K8 P41279 10/20 0.61
SRC P12931 2/20 0.52
CYP3A4 P08684 1/20 0.50
MAPKAPK2 P49137 1/20 0.50

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
SCHEMBL4960605 0.89 MAP3K8 (0.65) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4964463 0.89 MAP3K8 (0.59) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL6382063 0.87 EGFR (0.66) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4961398 0.87 MAP3K8 (0.53) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4960791 0.86 MAP3K8 (0.57) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4960545 0.86 MAP3K8 (0.59) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4961376 0.86 MAP3K8 (0.54) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL6382751 0.86 SRC (0.64) EGFRERBB2MAP3K8SRC
SCHEMBL4960562 0.85 MAP3K8 (0.65) EGFRERBB2MAP3K8SRCCYP3A4
SCHEMBL4963912 0.85 MAP3K8 (0.63) EGFRERBB2MAP3K8SRCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.