SCHEMBL5566602

SCHEMBL5566602

NC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 1.00
EGFR P00533 10/20 0.75
KCNH2 Q12809 5/20 0.72
AURKA O14965 1/20 0.64
RPS6KB1 P23443 1/20 0.64

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
SCHEMBL5566511 0.92 ERBB2 (0.85) ERBB2EGFRKCNH2
SCHEMBL5569301 0.91 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL5567163 0.91 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL3815972 0.91 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL5567179 0.91 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL5567166 0.91 ERBB2 (0.84) ERBB2EGFRKCNH2
SCHEMBL5569236 0.88 ERBB2 (0.79) ERBB2EGFRKCNH2
SCHEMBL5569929 0.88 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL5566368 0.87 ERBB2 (0.85) ERBB2EGFRKCNH2AURKARPS6KB1
SCHEMBL5634999 0.87 ERBB2 (0.85) ERBB2EGFRKCNH2AURKARPS6KB1

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 6 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
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO claimed
US-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases BRADBURY ROBERT H 2007-10-04 US disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 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-20070232607-A1 Quinazoline Derivatives as Erbb Receptor Tyrosine kinases ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 4/4885KCNH2 2481/4885

“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.