SCHEMBL4040743

SCHEMBL4040743

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOC4)c23)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.84
KDR P35968 11/20 0.71
SRC P12931 10/20 0.71
LCK P06239 2/20 0.59
YES1 P07947 1/20 0.59
FGFR1 P11362 1/20 0.59
CSK P41240 1/20 0.59
AURKB Q96GD4 1/20 0.59
BRAF P15056 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
ABCC4 O15439 1/20 0.58
DAPK3 O43293 1/20 0.58
RIPK2 O43353 1/20 0.58
NR1I2 O75469 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK17B O94768 1/20 0.58
STK10 O94804 1/20 0.58
PRKD3 O94806 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
SCHEMBL4032976 0.99 EGFR (0.85) EGFRKDRSRCLCKYES1
SCHEMBL4033595 0.96 EGFR (0.78) EGFRKDRSRCLCKYES1
SCHEMBL4036758 0.96 EGFR (0.90) EGFRKDRSRCLCKYES1
SCHEMBL4033940 0.96 EGFR (0.81) EGFRKDRSRCLCKYES1
SCHEMBL4036399 0.95 EGFR (0.91) EGFRKDRSRCLCKYES1
SCHEMBL4034224 0.95 EGFR (0.80) EGFRKDRSRCLCKYES1
SCHEMBL4037402 0.95 EGFR (0.80) EGFRKDRSRCLCKYES1
SCHEMBL4036227 0.94 EGFR (0.92) EGFRKDRSRCLCKYES1
SCHEMBL4031617 0.94 EGFR (0.78) EGFRKDRSRCLCKYES1
SCHEMBL5662033 0.94 EGFR (0.78) EGFRKDRSRCLCKYES1

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 4/4885KDR 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.