SCHEMBL4028240

SCHEMBL4028240

CN1CCCCC1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.73
EGFR P00533 12/20 0.73
KCNH2 Q12809 5/20 0.72

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
SCHEMBL4387844 0.89 ERBB2 (0.68) ERBB2EGFRKCNH2
SCHEMBL4390274 0.89 ERBB2 (0.68) ERBB2EGFRKCNH2
Hydrochloric Acid SCHEMBL4383096 0.89 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL4393448 0.87 ERBB2 (0.96) ERBB2EGFRKCNH2
SCHEMBL4396224 0.87 ERBB2 (0.96) ERBB2EGFRKCNH2
SCHEMBL5696857 0.86 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4384872 0.86 ERBB2 (0.81) ERBB2EGFRKCNH2
SCHEMBL5696763 0.86 ERBB2 (0.81) ERBB2EGFRKCNH2
SCHEMBL4389710 0.86 ERBB2 (0.81) ERBB2EGFRKCNH2
SCHEMBL4036581 0.85 ERBB2 (0.72) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ERBB2 1/4885EGFR 4/4885KCNH2 1510/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885KCNH2 1844/4885

“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.