SCHEMBL3522121

SCHEMBL3522121

COc1cc(OC)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.82
AURKA O14965 1/20 0.67
ERBB2 P04626 1/20 0.67
INSR P06213 1/20 0.67
FBP1 P09467 1/20 0.67
PDGFRB P09619 1/20 0.67
FLT4 P35916 1/20 0.67
KDR P35968 1/20 0.67
CLK1 P49759 1/20 0.67
EPHB4 P54760 1/20 0.67
TEK Q02763 1/20 0.67
AURKB Q96GD4 1/20 0.67
SRC P12931 1/20 0.64
RAF1 P04049 1/20 0.57
BRAF P15056 1/20 0.57

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
SCHEMBL3522768 0.88 EGFR (0.71) EGFRAURKAERBB2INSRFBP1
SCHEMBL31291195 0.85 EGFR (0.79) EGFRAURKAERBB2INSRFBP1
SCHEMBL31291283 0.85 EGFR (0.68) EGFRAURKAERBB2INSRFBP1
SCHEMBL4033913 0.85 EGFR (1.00) EGFRAURKAERBB2INSRFBP1
SCHEMBL4038435 0.85 EGFR (1.00) EGFRKDRSRC
SCHEMBL4034609 0.84 EGFR (1.00) EGFRERBB2KDRSRC
SCHEMBL15062361 0.84 EGFR (0.79) EGFRAURKAERBB2INSRFBP1
SCHEMBL3525010 0.84 EGFR (0.66) EGFRAURKAERBB2INSRFBP1
SCHEMBL25083189 0.83 EGFR (0.71) EGFRAURKAERBB2INSRFBP1
SCHEMBL4032944 0.83 EGFR (0.75) EGFRAURKAERBB2INSRFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659279-B2 2-{(2S)-2-[({4-[3-Chloro-4-fluoroanilino]-7-methoxyquinazolin-5-yl}oxy)methyl]pyrrolidin-1-yl}-2-oxoethanol; epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; breast, colorectal and head and neck cancer ASTRAZENECA AB (SE) 2010-02-09 US disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 US disclosed
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO 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 (3 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 4/4885AURKA 150/4885ERBB2 1/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885AURKA 129/4885ERBB2 1/4885
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 EGFR 1/4885AURKA 78/4885ERBB2 2/4885

“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.