SCHEMBL4385024

SCHEMBL4385024

Cc1cc(Nc2ncnc3cccc(OC[C@H]4CCCCN4)c23)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
EGFR P00533 9/20 0.41
KCNH2 Q12809 3/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL4394507 0.97 CHRNB2 (0.45) ERBB2CHRNB2CHRNA4EGFRKCNH2
SCHEMBL4388217 0.97 CHRNB2 (0.45) ERBB2CHRNB2CHRNA4EGFRKCNH2
SCHEMBL4389651 0.90 ERBB2 (0.48) ERBB2EGFRKCNH2
SCHEMBL4384923 0.90 ERBB2 (0.48) ERBB2EGFRKCNH2
SCHEMBL5490924 0.90 ERBB2 (0.48) ERBB2EGFRKCNH2
SCHEMBL27669572 0.87 EGFR (0.42) ERBB2CHRNB2CHRNA4EGFRCHRNB4
SCHEMBL4385924 0.87 ERBB2 (0.48) ERBB2EGFRKCNH2
SCHEMBL4387060 0.87 ERBB2 (0.48) ERBB2EGFRKCNH2
SCHEMBL4394741 0.84 ERBB2 (0.59) ERBB2EGFRKCNH2
SCHEMBL4384918 0.84 ERBB2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CHRNB2 4217/4885CHRNA4 4304/4885

“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.