SCHEMBL4960679

SCHEMBL4960679

COc1ccc(Nc2c(C#N)cnc3ccc(Br)cc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.71
EGFR P00533 8/20 0.70
ERBB2 P04626 8/20 0.70
RAF1 P04049 3/20 0.69
GAK O14976 1/20 0.60
SRC P12931 4/20 0.57
STK4 Q13043 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
SCHEMBL6071665 0.86 MAP2K1 (0.77) MAP2K1EGFRERBB2RAF1GAK
SCHEMBL30301819 0.85 MAP2K1 (0.62) MAP2K1EGFRERBB2RAF1GAK
SCHEMBL6381476 0.85 EGFR (0.75) MAP2K1EGFRERBB2RAF1GAK
SCHEMBL17858745 0.85 MAP2K1 (0.62) MAP2K1EGFRERBB2RAF1GAK
Hydrochloric Acid SCHEMBL17845966 0.84 MAP2K1 (0.61) MAP2K1EGFRERBB2RAF1GAK
SCHEMBL4097022 0.84 SRC (0.73) EGFRERBB2GAKSRC
SCHEMBL29207180 0.82 MAPT (0.49) MAP2K1EGFRERBB2RAF1
SCHEMBL30849390 0.82 MAPT (0.49) MAP2K1EGFRERBB2RAF1
SCHEMBL6382049 0.81 MAP2K1 (0.66) MAP2K1EGFRERBB2RAF1GAK
SCHEMBL1897881 0.80 EGFR (0.64) MAP2K1EGFRERBB2RAF1GAK

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 MAP2K1 818/4885EGFR 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.