SCHEMBL4171648

SCHEMBL4171648

c1cc(OC[C@H]2CCCN2)c2c(Nc3ccc4c(cnn4Cc4cscn4)c3)ncnc2c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.64
EGFR P00533 3/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4173454 0.89 ERBB2 (0.63) ERBB2EGFRKCNH2
SCHEMBL4187185 0.87 ERBB2 (0.62) ERBB2EGFRKCNH2
SCHEMBL4180207 0.87 ERBB2 (0.63) ERBB2EGFR
SCHEMBL3602871 0.86 ERBB2 (0.48) ERBB2EGFR
SCHEMBL3377757 0.85 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL4171631 0.83 ERBB2 (0.65) ERBB2EGFRKCNH2
SCHEMBL4177522 0.83 ERBB2 (0.64) ERBB2EGFRKCNH2
SCHEMBL4072543 0.82 ERBB2 (0.71) ERBB2EGFRKCNH2
SCHEMBL3376309 0.80 ERBB2 (0.70) ERBB2EGFRKCNH2
SCHEMBL3380050 0.80 ERBB2 (0.70) ERBB2EGFRKCNH2

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-20090137615-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2009-05-28 US disclosed
EP-1858884-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 EP disclosed
WO-2006092573-A1 INDAZOLYLAMINO QIONAZOLINE 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-20090137615-A1 INDAZOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOUR AGENTS ERBB2, ABL1, ERBB3 ERBB2 1/4885EGFR 5/4885KCNH2 3541/4885

“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.