SCHEMBL3609788

SCHEMBL3609788

O=C(CO)N1CCCC[C@@H]1COc1cccc2ncnc(Nc3ccc4c(ccn4Cc4ccccn4)c3)c12

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.69
EGFR P00533 10/20 0.69
ERBB4 Q15303 1/20 0.51
KCNH2 Q12809 2/20 0.47

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
SCHEMBL3608156 0.98 ERBB2 (0.71) ERBB2EGFRERBB4KCNH2
SCHEMBL5258335 0.90 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL3617722 0.90 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL4176232 0.89 ERBB2 (0.68) ERBB2EGFRERBB4KCNH2
SCHEMBL3616794 0.87 ERBB2 (0.59) ERBB2EGFRERBB4
SCHEMBL4180711 0.87 ERBB2 (0.71) ERBB2EGFRERBB4KCNH2
SCHEMBL4396224 0.84 ERBB2 (0.96) ERBB2EGFRKCNH2
SCHEMBL4393448 0.84 ERBB2 (0.96) ERBB2EGFRKCNH2
SCHEMBL5401248 0.84 ERBB2 (0.81) ERBB2EGFRKCNH2
SCHEMBL3610447 0.82 ERBB2 (0.49) ERBB2EGFRERBB4KCNH2

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-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2010-02-04 US claimed
EP-1858885-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 EP claimed
WO-2006092574-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 WO claimed
US-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-1858885-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 EP disclosed
WO-2006092574-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 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-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ERBB2, ABL1, MKI67 ERBB2 1/4885EGFR 4/4885ERBB4 5/4885

“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.