SCHEMBL4587635

SCHEMBL4587635

O=C(Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1)C(Cl)Cl

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.74
ERBB2 P04626 7/20 0.74
ERBB4 Q15303 2/20 0.51
KDR P35968 1/20 0.48
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL30946707 0.85 EGFR (1.00) EGFRERBB2ERBB4HDAC6
SCHEMBL4586103 0.85 EGFR (1.00) EGFRERBB2ERBB4HDAC6
SCHEMBL3240208 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL12494972 0.83 EGFR (0.81) EGFRERBB2ERBB4KDRHDAC6
SCHEMBL4586538 0.82 EGFR (1.00) EGFRERBB2ERBB4KDRRAF1
SCHEMBL4586532 0.81 EGFR (0.66) EGFRERBB2ERBB4KDRRAF1
SCHEMBL3248333 0.80 EGFR (0.80) EGFRERBB2ERBB4KDR
SCHEMBL3248334 0.80 EGFR (0.80) EGFRERBB2ERBB4KDR
SCHEMBL3245276 0.79 EGFR (0.82) EGFRERBB2ERBB4KDR
SCHEMBL3245279 0.79 EGFR (0.82) EGFRERBB2ERBB4KDR

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 1/4885ERBB2 2/4885ERBB4 4/4885

“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.