SCHEMBL4080222

SCHEMBL4080222

CNCCOc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.73
EGFR P00533 13/20 0.58

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
SCHEMBL3378119 0.90 ERBB2 (0.77) ERBB2EGFR
SCHEMBL4076780 0.86 ERBB2 (0.73) ERBB2EGFR
SCHEMBL4072543 0.85 ERBB2 (0.71) ERBB2EGFR
SCHEMBL3377629 0.85 ERBB2 (0.71) ERBB2EGFR
SCHEMBL3376628 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL3376338 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL4073165 0.85 ERBB2 (0.72) ERBB2EGFR
SCHEMBL3375094 0.84 ERBB2 (0.89) ERBB2EGFR
SCHEMBL3380349 0.84 ERBB2 (0.89) ERBB2EGFR
SCHEMBL5062788 0.84 ERBB2 (0.89) 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 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 2/4885

“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.