SCHEMBL3609780

SCHEMBL3609780

Fc1cccc2ncnc(Nc3ccc4c(ccn4Cc4cscn4)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.52
EGFR P00533 11/20 0.49
ERBB4 Q15303 2/20 0.40

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
SCHEMBL3618270 0.85 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL3376309 0.85 ERBB2 (0.70) ERBB2EGFRERBB4
SCHEMBL4203629 0.81 ERBB2 (0.78) ERBB2EGFR
SCHEMBL4032512 0.80 EGFR (0.69) ERBB2EGFR
SCHEMBL27730502 0.80 ERBB2 (0.48) ERBB2EGFRERBB4
Hydrochloric Acid SCHEMBL3508230 0.79 ERBB2 (0.46) ERBB2EGFRERBB4
SCHEMBL3602871 0.79 ERBB2 (0.48) ERBB2EGFRERBB4
SCHEMBL3616794 0.76 ERBB2 (0.59) ERBB2EGFRERBB4
SCHEMBL5258335 0.75 ERBB2 (0.56) ERBB2EGFRERBB4
SCHEMBL3617722 0.75 ERBB2 (0.56) ERBB2EGFRERBB4

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 3 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 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.