SCHEMBL4038425

SCHEMBL4038425

COCCOc1cc(OC2CCCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.86
KDR P35968 2/20 0.52
SRC P12931 2/20 0.52
EPHA2 P29317 1/20 0.51
EPHB4 P54760 1/20 0.51

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
SCHEMBL4036152 0.93 EGFR (1.00) EGFRKDRSRC
SCHEMBL4031397 0.92 EGFR (0.73) EGFRKDRSRCEPHA2EPHB4
SCHEMBL4036214 0.92 EGFR (0.83) EGFRKDRSRC
SCHEMBL4037175 0.91 EGFR (0.72) EGFRKDRSRCEPHA2EPHB4
SCHEMBL4040826 0.91 EGFR (0.72) EGFRKDRSRC
SCHEMBL4033136 0.89 EGFR (0.91) EGFRKDRSRC
SCHEMBL4034245 0.87 EGFR (0.67) EGFRKDRSRC
SCHEMBL4040011 0.87 EGFR (0.81) EGFRKDRSRCEPHA2EPHB4
SCHEMBL4218564 0.87 EGFR (0.71) EGFRKDRSRC
SCHEMBL4032117 0.87 EGFR (0.78) EGFRKDRSRC

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
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
CN-1764651-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-04-26 CN 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 4/4885KDR 75/4885SRC 111/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885KDR 33/4885SRC 39/4885

“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.