SCHEMBL4036581

SCHEMBL4036581

CN1CCCCC1COc1cccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.72
EGFR P00533 15/20 0.72
GAK O14976 1/20 0.55
ERBB3 P21860 1/20 0.54
ERBB4 Q15303 1/20 0.54

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
SCHEMBL4033907 0.91 ERBB2 (0.72) ERBB2EGFRGAKERBB3ERBB4
SCHEMBL4382756 0.87 EGFR (0.73) ERBB2EGFRERBB3ERBB4
SCHEMBL4028240 0.85 ERBB2 (0.73) ERBB2EGFR
SCHEMBL4031196 0.85 EGFR (0.70) ERBB2EGFRGAKERBB3ERBB4
SCHEMBL4387806 0.85 ERBB2 (0.76) ERBB2EGFR
SCHEMBL4383892 0.84 EGFR (0.65) ERBB2EGFR
SCHEMBL4031651 0.83 EGFR (0.92) ERBB2EGFRGAKERBB3ERBB4
SCHEMBL3815062 0.82 EGFR (0.70) ERBB2EGFRGAKERBB3ERBB4
SCHEMBL4029767 0.81 ERBB2 (0.76) ERBB2EGFRGAK
SCHEMBL4036589 0.81 EGFR (0.83) ERBB2EGFRGAK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ERBB2 1/4885EGFR 4/4885GAK 178/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885GAK 99/4885

“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.