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SCHEMBL774324

SCHEMBL774324

Cc1cc(C)c(NC(=O)c2sc(NC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)nc2C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 14/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ NCOR1 O75376 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GMNN O75496 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ GABRA2 P47869 1/20 0.43

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
SCHEMBL773569 0.84 LCK (0.68) LCK
SCHEMBL773899 0.81 LCK (0.54) LCKALDH1A1LMNAMAPT
SCHEMBL3720731 0.80 LCK (0.49) LCKALDH1A1SMN1; SMN2
SCHEMBL773084 0.79 LCK (0.71) LCKALDH1A1SMN1; SMN2
SCHEMBL5509660 0.78 LCK (0.72) LCKALDH1A1
SCHEMBL14568848 0.77 LCK (0.70) LCKALDH1A1MAPT
SCHEMBL1539984 0.77 LCK (0.71) LCKALDH1A1
SCHEMBL774431 0.77 LCK (0.58) LCKALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL1539945 0.76 LCK (0.70) LCKALDH1A1
SCHEMBL774059 0.76 LCK (0.69) LCKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 — — EP claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 — — WO claimed
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
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-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-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology DAS JAGABANDHU 2005-11-24 — — 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 (11 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 1/4885HDAC6 774/4885HDAC3 2863/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885HDAC6 1669/4885HDAC3 4181/4885
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 2/4885HDAC6 832/4885HDAC3 938/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885HDAC6 1669/4885HDAC3 4181/4885
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 20/4885HDAC6 589/4885HDAC3 386/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885HDAC6 1669/4885HDAC3 4181/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885HDAC6 602/4885HDAC3 516/4885
US-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology JAK2, JAK1, TYK2 LCK 11/4885HDAC6 1963/4885HDAC3 1949/4885
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 1/4885HDAC6 74/4885HDAC3 549/4885
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885HDAC6 1669/4885HDAC3 4181/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885HDAC6 1669/4885HDAC3 4181/4885

“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.