SCHEMBL4037940

SCHEMBL4037940

O=C(Oc1cc(OC2CCOC2)c2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2c1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.63
ERBB2 P04626 6/20 0.56
ERBB4 Q15303 2/20 0.48
ERBB3 P21860 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
SCHEMBL4034347 0.96 EGFR (0.59) EGFRERBB2ERBB4ERBB3
SCHEMBL4033923 0.91 EGFR (0.61) EGFRERBB2ERBB4ERBB3
Trifluoroacetic Acid SCHEMBL4037938 0.89 EGFR (0.64) EGFRERBB2ERBB4ERBB3
SCHEMBL4031933 0.88 EGFR (0.63) EGFRERBB2ERBB4ERBB3
SCHEMBL4034844 0.88 EGFR (0.74) EGFRERBB2
SCHEMBL4031917 0.88 EGFR (0.62) EGFRERBB2ERBB4ERBB3
SCHEMBL4035394 0.88 EGFR (0.66) EGFRERBB2ERBB4ERBB3
SCHEMBL4037810 0.87 EGFR (0.61) EGFRERBB2ERBB4ERBB3
SCHEMBL4032909 0.87 EGFR (0.76) EGFR
SCHEMBL4031352 0.86 EGFR (0.70) EGFRERBB2ERBB4ERBB3

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-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885ERBB2 1/4885ERBB4 5/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885

“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.