SCHEMBL772085

SCHEMBL772085

Cc1cc(C)c(NC(=O)c2sc(NC(=O)Nc3cccc(Oc4ccccc4)c3)nc2C)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.79
MAPT P10636 2/20 0.52
CLK1 P49759 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL773012 0.91 LCK (0.77) LCKMAPTCLK1KMT2A
SCHEMBL774311 0.89 LCK (1.00) LCKMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5614168 0.86 LCK (0.59) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL775037 0.85 LCK (0.80) LCKMAPTSMN1; SMN2
SCHEMBL774005 0.84 LCK (0.78) LCKKMT2ASMN1; SMN2
SCHEMBL773007 0.84 LCK (0.78) LCK
SCHEMBL772679 0.83 LCK (0.63) LCKMAPTMEN1KMT2AALDH1A1
SCHEMBL773935 0.82 LCK (0.79) LCK
SCHEMBL774478 0.82 LCK (0.75) LCKMAPTMEN1KMT2AALDH1A1
SCHEMBL774093 0.82 LCK (0.78) LCKMAPTSMN1; SMN2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209930-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer DAS JAGABANDHU (US) 2004-04-22 US claimed
US-20040073026-A1 Autoimmune diseases; anticancer agents DAS JAGABANDHU (US) 2004-04-15 US claimed
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US claimed
US-20040024208-A1 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology DAS JAGABANDHU (US) 2004-02-05 US claimed
US-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 EP disclosed
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-09-15 US disclosed
US-7153856-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-7091223-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-15 US disclosed
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors DAS JAGABANDHU 2006-04-13 US disclosed
US-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
US-6979694-B2 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-27 US disclosed
US-20040209930-A1 Synergistic methods and compositions for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
US-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 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 (10 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-20040073026-A1 Autoimmune diseases; anticancer agents LCK, SSB, JAK1 LCK 1/4885MAPT 3166/4885CLK1 1150/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885MAPT 3114/4885CLK1 591/4885
US-20040077875-A1 (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2 -thiazolyl)carbamic Acid, 1,1-dimethylethyl ester for example; treating immunological and oncological disorders such as inflammatory bowel disease or cancer JAK1, LCK, MERTK LCK 2/4885MAPT 1716/4885CLK1 1038/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885MAPT 3114/4885CLK1 591/4885
US-20040024208-A1 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology TPMT, JAK1, CHUK LCK 20/4885MAPT 1908/4885CLK1 2280/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885MAPT 3114/4885CLK1 591/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885MAPT 4374/4885CLK1 264/4885
US-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer LCK, ERBB2, JAK2 LCK 1/4885MAPT 3061/4885CLK1 915/4885
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885MAPT 3114/4885CLK1 591/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885MAPT 3114/4885CLK1 591/4885

“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.