SCHEMBL4075962

SCHEMBL4075962

CNC(C)COc1cccc2ncnc(Nc3ccc4c(ccn4Cc4ccccn4)c3)c12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.57
EGFR P00533 7/20 0.54
KCNH2 Q12809 6/20 0.54
ERBB4 Q15303 1/20 0.53

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
SCHEMBL4075952 1.00 ERBB2 (0.57) ERBB2EGFRKCNH2ERBB4
SCHEMBL4073005 0.87 ERBB2 (0.61) ERBB2EGFRKCNH2ERBB4
SCHEMBL4083330 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB4
SCHEMBL4083320 0.87 ERBB2 (0.76) ERBB2EGFRKCNH2ERBB4
SCHEMBL27709279 0.86 ERBB2 (0.54) ERBB2EGFRKCNH2ERBB4
SCHEMBL27699617 0.86 ERBB2 (0.52) ERBB2EGFRKCNH2ERBB4
SCHEMBL4197751 0.85 ERBB2 (0.69) ERBB2EGFRKCNH2ERBB4
SCHEMBL4074558 0.85 ERBB2 (0.69) ERBB2EGFRKCNH2ERBB4
SCHEMBL4202156 0.85 ERBB2 (0.54) ERBB2EGFRKCNH2ERBB4
SCHEMBL4189683 0.83 ERBB2 (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877397-B1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20090023759-A1 Quinazoline Derivatives as Inhibitors of EGF and/or erbB2 Receptor Tyrosine Kinase ASTRAZENECA AB (SE) 2009-01-22 US disclosed
CN-101208332-A Quinazoline derivatives as inhibitors of egf and/or erbb2 receptor tyrosine kinase ASTRAZENECA AB (SE) 2008-06-25 CN disclosed
EP-1877397-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE AstraZeneca AB (SE) 2008-01-16 EP disclosed
WO-2006117521-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE 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-20090023759-A1 Quinazoline Derivatives as Inhibitors of EGF and/or erbB2 Receptor Tyrosine Kinase ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885KCNH2 4094/4885

“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.