SCHEMBL5486491

SCHEMBL5486491

COCC(=O)N1CC[C@H](COc2cccc3ncnc(Nc4cccc(OC(Cl)c5ccccn5)c4)c23)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.48
EGFR P00533 8/20 0.47
KCNH2 Q12809 7/20 0.43
SRC P12931 1/20 0.40

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
SCHEMBL5480900 0.88 ERBB2 (0.59) ERBB2EGFRKCNH2
SCHEMBL4387854 0.82 ERBB2 (0.72) ERBB2EGFRKCNH2
SCHEMBL4541716 0.82 ERBB2 (0.72) ERBB2EGFRKCNH2
SCHEMBL5481085 0.82 ERBB2 (0.58) ERBB2EGFRKCNH2
SCHEMBL5469740 0.80 ERBB2 (0.46) ERBB2EGFRKCNH2SRC
SCHEMBL5486484 0.77 ERBB2 (0.54) ERBB2EGFRKCNH2SRC
SCHEMBL5474732 0.76 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL4544225 0.76 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL5478598 0.76 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL4387748 0.75 ERBB2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US claimed

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.