SCHEMBL4036227

SCHEMBL4036227

CN1CCN(CCCOc2cc(OC3CCOC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)CC1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.92
SRC P12931 9/20 0.66
KDR P35968 8/20 0.66
BMPR1B O00238 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
RIPK2 O43353 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
YES1 P07947 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
HCK P08631 1/20 0.58
PDGFRB P09619 1/20 0.58
FGR P09769 1/20 0.58
KIT P10721 1/20 0.58
BCR P11274 1/20 0.58

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
SCHEMBL4038444 0.97 EGFR (0.87) EGFRSRCKDRBMPR1BGAK
SCHEMBL4042007 0.96 EGFR (0.85) EGFRSRCKDRBMPR1BGAK
SCHEMBL4035967 0.96 EGFR (1.00) EGFRSRCKDRBMPR1BGAK
SCHEMBL4032976 0.95 EGFR (0.85) EGFRSRCKDRGAKEPHB6
SCHEMBL4039958 0.95 EGFR (0.82) EGFRSRCKDRBMPR1BGAK
SCHEMBL4042282 0.94 EGFR (0.82) EGFRSRCKDR
SCHEMBL4040743 0.94 EGFR (0.84) EGFRSRCKDRGAKEPHB6
SCHEMBL4033940 0.94 EGFR (0.81) EGFRSRCKDRLCKYES1
SCHEMBL4037402 0.94 EGFR (0.80) EGFRSRCKDRLCKYES1
SCHEMBL4034224 0.94 EGFR (0.80) EGFRSRCKDRLCKYES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US claimed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP claimed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
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 4/4885SRC 111/4885KDR 75/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885SRC 39/4885KDR 33/4885

“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.