SCHEMBL6604725

SCHEMBL6604725

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCN(C(=O)CN2CCN(C)C(=O)C2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 10/20 0.70
EGFR P00533 12/20 0.65
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
LYN P07948 1/20 0.63
RET P07949 1/20 0.63
EPHA1 P21709 1/20 0.63
ERBB3 P21860 1/20 0.63
EPHA2 P29317 1/20 0.63
EPHB2 P29323 1/20 0.63
EPHA5 P54756 1/20 0.63
EPHB4 P54760 1/20 0.63
EPHA4 P54764 1/20 0.63
ADK P55263 1/20 0.63
PTK6 Q13882 1/20 0.63
RIPK3 Q9Y572 1/20 0.63

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
SCHEMBL4086424 0.92 ERBB2 (0.74) ERBB2EGFRGAKRIPK2LYN
SCHEMBL5753976 0.92 ERBB2 (0.74) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3127263 0.91 ERBB2 (0.79) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3131692 0.91 ERBB2 (0.79) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3123531 0.90 ERBB2 (0.73) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3127172 0.89 ERBB2 (0.75) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3121700 0.88 EGFR (0.84) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3133020 0.88 ERBB2 (0.75) ERBB2EGFRGAKRIPK2LYN
SCHEMBL12304864 0.88 ERBB2 (0.75) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4081797 0.88 EGFR (0.84) ERBB2EGFRGAKRIPK2LYN

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-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 EP disclosed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR ERBB2 2/4885EGFR 3/4885GAK 173/4885
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR ERBB2 1/4885EGFR 3/4885GAK 173/4885
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR ERBB2 1/4885EGFR 3/4885GAK 173/4885

“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.