SCHEMBL4076780

SCHEMBL4076780

CNCCOc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.73
EGFR P00533 4/20 0.69
KCNH2 Q12809 1/20 0.69
ERBB4 Q15303 1/20 0.55

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
SCHEMBL27729014 0.98 ERBB2 (0.72) ERBB2EGFRKCNH2ERBB4
SCHEMBL3376303 0.90 ERBB2 (0.77) ERBB2EGFRKCNH2ERBB4
SCHEMBL4080217 0.89 ERBB2 (0.81) ERBB2EGFRKCNH2ERBB4
SCHEMBL4083330 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB4
SCHEMBL4083320 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB4
SCHEMBL3376323 0.87 ERBB2 (0.81) ERBB2EGFRKCNH2ERBB4
SCHEMBL4072543 0.87 ERBB2 (0.71) ERBB2EGFRKCNH2
SCHEMBL4080222 0.86 ERBB2 (0.73) ERBB2EGFR
SCHEMBL5057307 0.85 ERBB2 (0.78) ERBB2EGFRKCNH2ERBB4
SCHEMBL3377576 0.85 ERBB2 (0.75) ERBB2EGFRKCNH2ERBB4

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
US-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1877398-B1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
EP-1877398-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-16 EP disclosed
WO-2006117523-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-09 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-20090221616-A1 QUINAZOLINE DERIVATIVES AS EGF AND/OR ERBB2 TYROSINE KINASE INHIBITORS ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885KCNH2 4222/4885

“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.