SCHEMBL4385924

SCHEMBL4385924

Oc1ccc(Nc2ncnc3cccc(OC[C@H]4CCCN4)c23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.48
EGFR P00533 13/20 0.48
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ERBB4 Q15303 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41

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
SCHEMBL4387060 1.00 ERBB2 (0.48) ERBB2EGFRKCNH2SLC6A2SLC6A4
SCHEMBL4389651 0.97 ERBB2 (0.48) ERBB2EGFRKCNH2SLC6A2SLC6A4
SCHEMBL4384923 0.97 ERBB2 (0.48) ERBB2EGFRKCNH2SLC6A2SLC6A4
SCHEMBL5490924 0.97 ERBB2 (0.48) ERBB2EGFRKCNH2SLC6A2SLC6A4
SCHEMBL4388217 0.89 CHRNB2 (0.45) ERBB2EGFRKCNH2
SCHEMBL4394507 0.89 CHRNB2 (0.45) ERBB2EGFRKCNH2
SCHEMBL4385024 0.87 ERBB2 (0.43) ERBB2EGFRKCNH2
SCHEMBL5696770 0.86 EGFR (0.47) ERBB2EGFRKCNH2EPHA2KDR
SCHEMBL4393432 0.85 EGFR (0.48) ERBB2EGFRKCNH2EPHA2KDR
SCHEMBL27669572 0.84 EGFR (0.42) 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
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR ERBB2 1/4885EGFR 3/4885KCNH2 3564/4885

“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.