SCHEMBL4586538

SCHEMBL4586538

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 1.00
ERBB2 P04626 4/20 0.78
KDR P35968 3/20 0.57
FLT1 P17948 1/20 0.54
AURKB Q96GD4 1/20 0.54
GMPS P49915 1/20 0.52
RAF1 P04049 1/20 0.51
BRAF P15056 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ERBB4 Q15303 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
SCHEMBL30946707 0.88 EGFR (1.00) EGFRERBB2AURKBGMPSHDAC6
SCHEMBL4586103 0.88 EGFR (1.00) EGFRERBB2AURKBGMPSHDAC6
SCHEMBL12700472 0.87 EGFR (0.77) EGFRERBB2KDRAURKBHDAC6
SCHEMBL12494972 0.86 EGFR (0.81) EGFRERBB2KDRAURKBHDAC6
SCHEMBL12700568 0.82 EGFR (0.74) EGFRERBB2KDRAURKBHDAC6
SCHEMBL4587635 0.82 EGFR (0.74) EGFRERBB2KDRRAF1BRAF
SCHEMBL3240208 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL4588756 0.80 EGFR (0.79) EGFRKDRGMPS
SCHEMBL3245279 0.80 EGFR (0.82) EGFRERBB2KDRERBB4
SCHEMBL3245276 0.80 EGFR (0.82) EGFRERBB2KDRERBB4

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 2/4885KDR 18/4885

“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.