SCHEMBL4540345

SCHEMBL4540345

Cc1cc(COc2ccc(Nc3ncnc4cccc(OC[C@@H]5CCCN(C(=O)CO)C5)c34)cc2Cl)no1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.62
EGFR P00533 13/20 0.62
KCNH2 Q12809 3/20 0.49

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
SCHEMBL4385684 0.93 ERBB2 (0.56) ERBB2EGFRKCNH2
SCHEMBL5477568 0.90 ERBB2 (0.54) ERBB2EGFRKCNH2
SCHEMBL5469737 0.89 EGFR (0.48) ERBB2EGFRKCNH2
SCHEMBL4396239 0.89 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL4385333 0.89 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL4391670 0.89 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL4397170 0.87 ERBB2 (0.63) ERBB2EGFRKCNH2
SCHEMBL4388273 0.87 ERBB2 (0.63) ERBB2EGFRKCNH2
SCHEMBL5474732 0.84 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4544225 0.84 ERBB2 (0.76) ERBB2EGFRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505874-A 2007-03-15 JP claimed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO claimed
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR ERBB2 1/4885EGFR 3/4885KCNH2 3564/4885

“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.