SCHEMBL3524064

SCHEMBL3524064

COc1cc(OC[C@H]2CCCN2C(=O)CN2CCOCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.60
ERBB2 P04626 4/20 0.50
SRC P12931 2/20 0.49
BRAF P15056 2/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
ABCC4 O15439 1/20 0.49
DAPK3 O43293 1/20 0.49
RIPK2 O43353 1/20 0.49
NR1I2 O75469 1/20 0.49
RPS6KA4 O75676 1/20 0.49
STK17B O94768 1/20 0.49
STK10 O94804 1/20 0.49
PRKD3 O94806 1/20 0.49
ABCB11 O95342 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL3522106 1.00 EGFR (0.60) EGFRERBB2SRCBRAFCIT
SCHEMBL1675982 0.94 EGFR (0.61) EGFRERBB2SRCGAKRIPK2
SCHEMBL3522078 0.94 EGFR (0.61) EGFRERBB2SRCGAKRIPK2
SCHEMBL3523295 0.93 EGFR (0.62) EGFRERBB2KDR
SCHEMBL3521722 0.93 EGFR (0.62) EGFRERBB2KDR
SCHEMBL5735644 0.93 EGFR (0.62) EGFRERBB2KDR
SCHEMBL3520041 0.90 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL4735610 0.90 EGFR (0.65) EGFRERBB2
SCHEMBL3525133 0.90 EGFR (0.65) EGFRERBB2
SCHEMBL3522831 0.90 EGFR (0.65) EGFRERBB2

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 3 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
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-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 US 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 2/4885SRC 42/4885

“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.