SCHEMBL1675992

SCHEMBL1675992

COc1cc(OC[C@@H]2C[C@H](O)CN2C(=O)CN(C)C)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.58
ERBB2 P04626 2/20 0.44
ERBB4 Q15303 2/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42

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
SCHEMBL4729876 1.00 EGFR (0.58) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL4673010 1.00 EGFR (0.58) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL3523934 1.00 EGFR (0.58) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL3521877 1.00 EGFR (0.58) EGFRERBB2ERBB4ABL1PDGFRB
SCHEMBL3525388 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL4732808 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL3523179 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL3519725 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL3523105 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL3525687 0.92 EGFR (0.57) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4673839-B2 2011-04-20 JP claimed
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 claimed
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP claimed
JP-2006525296-A 2006-11-09 JP claimed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 US claimed
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 WO claimed
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
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
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-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP 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
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 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 (1 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-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 EGFR 1/4885ERBB2 2/4885ERBB4 3/4885

“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.