SCHEMBL4033830

SCHEMBL4033830

C=CCN(C)CCCOc1cc(OC2CCOC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 6/20 0.53
GAK O14976 2/20 0.53
ABL1 P00519 2/20 0.53
LCK P06239 2/20 0.53
MET P08581 2/20 0.53
PHKG2 P15735 2/20 0.53
BLK P51451 2/20 0.53
IRAK1 P51617 2/20 0.53
DYRK1A Q13627 2/20 0.53
ERBB4 Q15303 2/20 0.53
HIPK4 Q8NE63 2/20 0.53
EPHA6 Q9UF33 2/20 0.53
CIT O14578 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
STK10 O94804 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
CHRM2 P08172 1/20 0.53

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
SCHEMBL4036771 0.91 EGFR (0.73) EGFRERBB2GAKABL1LCK
SCHEMBL4040190 0.91 EGFR (0.73) EGFRERBB2ABL1ERBB4RET
SCHEMBL4037588 0.90 EGFR (0.76) EGFRERBB2ABL1ERBB4RET
SCHEMBL4039652 0.89 EGFR (0.70) EGFRERBB2ABL1ERBB4RET
SCHEMBL4037351 0.87 EGFR (0.74) EGFRERBB2ABL1ERBB4RET
SCHEMBL4032404 0.87 EGFR (0.80) EGFRSRC
SCHEMBL4210837 0.87 EGFR (0.77) EGFRSRC
SCHEMBL4034377 0.87 EGFR (0.77) EGFRSRC
SCHEMBL4207185 0.86 EGFR (0.81) EGFRSRC
SCHEMBL4034040 0.86 EGFR (0.83) EGFRSRC

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 1/4885GAK 178/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885GAK 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.