SCHEMBL5477808

SCHEMBL5477808

CC(C)(C)OC(=O)N1CCC[C@H](COc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
ERBB2 P04626 17/20 0.54
KCNH2 Q12809 5/20 0.47
EPHA2 P29317 2/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL5470390 1.00 EGFR (0.61) EGFRERBB2KCNH2EPHA2EPHB4
SCHEMBL4390260 0.91 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL4390878 0.91 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL5478387 0.90 ERBB2 (0.67) EGFRERBB2KCNH2
SCHEMBL5477539 0.90 ERBB2 (0.67) EGFRERBB2KCNH2
SCHEMBL4397170 0.90 ERBB2 (0.63) EGFRERBB2KCNH2
SCHEMBL4388273 0.90 ERBB2 (0.63) EGFRERBB2KCNH2
SCHEMBL5477568 0.89 ERBB2 (0.54) EGFRERBB2KCNH2EPHA2EPHB4
SCHEMBL5479445 0.87 ERBB2 (0.51) EGFRERBB2KCNH2EPHA2EPHB4
SCHEMBL5474052 0.87 ERBB2 (0.51) EGFRERBB2KCNH2EPHA2EPHB4

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 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 EGFR 3/4885ERBB2 1/4885KCNH2 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.