SCHEMBL5637754

SCHEMBL5637754

COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc1ccc(C)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 1.00
KCNH2 Q12809 4/20 0.62
EGFR P00533 3/20 0.62
MKNK2 Q9HBH9 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
SCHEMBL5570131 1.00 ERBB2 (1.00) ERBB2KCNH2EGFRMKNK2
SCHEMBL5572349 0.93 ERBB2 (1.00) ERBB2KCNH2EGFRMKNK2
SCHEMBL5637699 0.93 ERBB2 (1.00) ERBB2KCNH2EGFRMKNK2
SCHEMBL5636961 0.93 ERBB2 (1.00) ERBB2KCNH2EGFRMKNK2
SCHEMBL5572331 0.91 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL5637845 0.91 ERBB2 (0.86) ERBB2KCNH2EGFRMKNK2
SCHEMBL5636356 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5573245 0.91 ERBB2 (0.84) ERBB2KCNH2EGFR
SCHEMBL5636358 0.91 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL5572930 0.91 ERBB2 (0.86) ERBB2KCNH2EGFRMKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US claimed
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 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-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 ERBB2 1/4885KCNH2 2481/4885EGFR 4/4885

“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.