SCHEMBL3810503

SCHEMBL3810503

CN(C)CCOc1cccc2ncnc(Nc3ccc(O)c(Cl)c3)c12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.57
EGFR P00533 12/20 0.57
KCNH2 Q12809 5/20 0.49

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
SCHEMBL4485031 0.90 ERBB2 (0.62) ERBB2EGFRKCNH2
SCHEMBL3812508 0.89 ERBB2 (0.50) ERBB2EGFRKCNH2
SCHEMBL4469684 0.88 ERBB2 (0.74) ERBB2EGFRKCNH2
SCHEMBL3812958 0.88 EGFR (0.50) ERBB2EGFRKCNH2
SCHEMBL3808108 0.88 EGFR (0.53) ERBB2EGFR
SCHEMBL4475716 0.87 ERBB2 (0.52) ERBB2EGFRKCNH2
SCHEMBL4490078 0.87 ERBB2 (0.53) ERBB2EGFRKCNH2
SCHEMBL3812125 0.85 ERBB2 (0.51) ERBB2EGFRKCNH2
SCHEMBL3817146 0.83 ERBB2 (0.69) ERBB2EGFRKCNH2
SCHEMBL27627676 0.83 ERBB2 (0.69) 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-1631292-B1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20070149546-A1 4-Anilino-quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2007-06-28 US disclosed
EP-1631292-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astra Zeneca AB (SE) 2006-03-08 EP disclosed
WO-2004093880-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2004-11-04 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-20070149546-A1 4-Anilino-quinazoline derivatives as antiproliferative agents ABL1, ERBB2, ERBB4 ERBB2 2/4885EGFR 10/4885KCNH2 4713/4885

“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.