SCHEMBL4594599

SCHEMBL4594599

CNCC=CC(=O)Nc1ccc2ncnc(NBr)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.56
KDR P35968 1/20 0.56
ERBB2 P04626 12/20 0.56
FYN P06241 1/20 0.51
SRC P12931 1/20 0.51

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
SCHEMBL5378352 0.84 EGFR (0.80) EGFRERBB2FYNSRC
SCHEMBL5378346 0.84 EGFR (0.80) EGFRERBB2FYNSRC
SCHEMBL5374128 0.82 EGFR (0.80) EGFRERBB2
SCHEMBL5374126 0.82 EGFR (0.80) EGFRERBB2
SCHEMBL3245276 0.81 EGFR (0.82) EGFRKDRERBB2
SCHEMBL3245279 0.81 EGFR (0.82) EGFRKDRERBB2
SCHEMBL3263605 0.73 EGFR (0.80) EGFRKDRERBB2FYNSRC
SCHEMBL5116945 0.73 EGFR (0.80) EGFRKDRERBB2FYNSRC
SCHEMBL16882294 0.73 EGFR (0.82) EGFRERBB2FYNSRC
SCHEMBL7236332 0.72 EGFR (0.67) EGFRERBB2FYNSRC

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
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 US disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 EP disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 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-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 18/4885ERBB2 2/4885

“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.