SCHEMBL13900564

SCHEMBL13900564

O=S(=O)(CCNCCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.87
▸ ERBB2 P04626 11/20 0.87
▸ ABCB11 O95342 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ PIK3C2B O00750 1/20 0.73
▸ MAP2K7 O14733 1/20 0.73
▸ RIPK2 O43353 1/20 0.73
▸ PIK3C2G O75747 1/20 0.73
▸ STK10 O94804 1/20 0.73
▸ ABL1 P00519 1/20 0.73
▸ INSR P06213 1/20 0.73
▸ RET P07949 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ PDGFRB P09619 1/20 0.73
▸ SRC P12931 1/20 0.73
▸ CYP3A5 P20815 1/20 0.73
▸ ERBB3 P21860 1/20 0.73
▸ CDK2 P24941 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ KCNH2 Q12809 1/20 0.73

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
SCHEMBL14572854 0.93 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13900589 0.90 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13900588 0.90 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
Gw615311X SCHEMBL4006420 0.88 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Gw615311X SCHEMBL30467439 0.88 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13594227 0.88 EGFR (0.89) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13900587 0.87 EGFR (0.85) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4011764 0.86 EGFR (0.73) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13900583 0.85 EGFR (0.85) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4003040 0.85 EGFR (0.77) EGFRERBB2ABCB11MEN1PIK3C2B

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-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-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
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
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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3/4885ABCB11 3438/4885
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 2/4885ABCB11 3482/4885

“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.

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