Sugi Predict

Sugi Predict / Compounds / SCHEMBL4007342

SCHEMBL4007342

SCHEMBL4007342

CC(c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cc2F)cs1)N(C)CCS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.45
▸ ERBB2 P04626 13/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAK O14976 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
SCHEMBL4001995 0.95 EGFR (0.46) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4005806 0.94 EGFR (0.45) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4006399 0.93 EGFR (0.53) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4007485 0.92 EGFR (0.45) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4003750 0.92 EGFR (0.55) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4011889 0.92 EGFR (0.45) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4004486 0.90 EGFR (0.49) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4007279 0.89 EGFR (0.48) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4006808 0.89 EGFR (0.48) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4007346 0.89 EGFR (0.48) EGFRERBB2MEN1MAPK1KMT2A

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 11 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
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 (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-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 2/4885MEN1 4706/4885
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 2/4885MEN1 3034/4885
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 2/4885MEN1 4706/4885

“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.