SCHEMBL4197043

SCHEMBL4197043

C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(ccn4Cc4ccccn4)c3)c12)C(=O)N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.79
KCNH2 Q12809 5/20 0.71
EGFR P00533 4/20 0.64
ERBB4 Q15303 1/20 0.52

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
SCHEMBL3376894 0.88 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL3375364 0.88 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL4197751 0.88 ERBB2 (0.69) ERBB2KCNH2EGFRERBB4
SCHEMBL4189683 0.86 ERBB2 (0.78) ERBB2KCNH2EGFRERBB4
SCHEMBL5637026 0.84 ERBB2 (0.85) ERBB2KCNH2EGFR
SCHEMBL5572097 0.83 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL5635979 0.83 ERBB2 (1.00) ERBB2KCNH2EGFR
SCHEMBL4189935 0.83 ERBB2 (0.69) ERBB2KCNH2EGFRERBB4
SCHEMBL4073005 0.83 ERBB2 (0.61) ERBB2KCNH2EGFRERBB4
SCHEMBL3377003 0.82 ERBB2 (0.88) ERBB2KCNH2EGFR

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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US claimed
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 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-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 ERBB2 2/4885KCNH2 3976/4885EGFR 7/4885

“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.