SCHEMBL4010546

SCHEMBL4010546

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1-c1csc(CCCOCCS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.58
ERBB2 P04626 12/20 0.58
GAK O14976 1/20 0.57
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL4002681 0.96 EGFR (0.60) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4010934 0.94 EGFR (0.62) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4007374 0.93 EGFR (0.60) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4003971 0.93 EGFR (0.49) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4003391 0.93 EGFR (0.62) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4009526 0.93 EGFR (0.56) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4006031 0.92 EGFR (0.59) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4005008 0.92 EGFR (0.60) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4003297 0.92 EGFR (0.59) EGFRERBB2GAKMEN1MAPK1
SCHEMBL4007557 0.91 EGFR (0.58) EGFRERBB2GAKMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507741-B2 quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent SMITHKLINE BEECHAM CORPORATION (US) 2009-03-24 US disclosed
US-20080004294-A1 quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent COCKERILL GEORGE S 2008-01-03 US disclosed
EP-1192151-B1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2007-11-07 EP disclosed
US-7265123-B2 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies SMITHKLINE BEECHAM CORPORATION (US) 2007-09-04 US disclosed
US-20070093512-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies COCKERILL GEORGE S 2007-04-26 US disclosed
US-7189734-B2 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20060189637-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies COCKERILL GEORGE S 2006-08-24 US disclosed
US-7084147-B2 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-phenylsulphonyl-ethylamino)methyl)-thiazol-4-yl)-quinazolin-4-yl)-amine SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-6933299-B1 Anilinoquinazolines as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-08-23 US disclosed
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine COCKERILL GEORGE S (GB) 2005-06-30 US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 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 (4 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-20080004294-A1 quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent ABL1, CDK2, ERBB2 EGFR 208/4885ERBB2 3/4885GAK 137/4885
US-20060189637-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies ABL1, ERBB2, SRC EGFR 105/4885ERBB2 2/4885GAK 93/4885
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine ABL1, ERBB2, ERBB4 EGFR 71/4885ERBB2 2/4885GAK 73/4885
US-20070093512-A1 4-Phenylaminopyrido[4,3-d]pyrimidines 6-heteroaryl-substituted, in which the heteroaryl is substituted with a sulfonylethylamino-, thio- or oxy- group; protein tyrosine kinase inhibitors, used especially to treat various malignancies ABL1, ERBB2, SRC EGFR 105/4885ERBB2 2/4885GAK 93/4885

“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.