SCHEMBL4034112

SCHEMBL4034112

COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(OCc4cccc(F)c4)c(C)c3)ncnc2c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.69
ERBB2 P04626 8/20 0.69
SRC P12931 4/20 0.56
KDR P35968 3/20 0.56
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4038197 0.92 EGFR (0.82) EGFRERBB2SRCKDRKCNH2
SCHEMBL4207635 0.92 EGFR (0.65) EGFRERBB2SRCKDRKCNH2
SCHEMBL4036733 0.90 ERBB2 (0.84) EGFRERBB2SRCKCNH2
SCHEMBL4032085 0.89 EGFR (0.69) EGFRERBB2SRCKDRKCNH2
Hydrochloric Acid SCHEMBL4031635 0.89 EGFR (0.65) EGFRERBB2SRCKDRKCNH2
SCHEMBL4032523 0.87 EGFR (0.75) EGFRERBB2SRCKDRKCNH2
SCHEMBL4038969 0.87 EGFR (0.69) EGFRERBB2SRCKDRKCNH2
SCHEMBL4037101 0.85 EGFR (0.81) EGFRERBB2KCNH2
SCHEMBL4034225 0.85 EGFR (0.78) EGFRERBB2KCNH2
SCHEMBL4036185 0.85 EGFR (0.67) EGFRERBB2SRCKDRKCNH2

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 1/4885SRC 111/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885SRC 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.