SCHEMBL774251

SCHEMBL774251

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(CN3CCC(C(N)=O)CC3)ncn2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.61
HCK P08631 5/20 0.57
BTK Q06187 2/20 0.57
MAPK14 Q16539 6/20 0.55
SRC P12931 6/20 0.55
EGFR P00533 4/20 0.55
FYN P06241 4/20 0.55
MAPK13 O15264 3/20 0.55
JAK3 P52333 3/20 0.55
MAPK12 P53778 3/20 0.55
MAPK11 Q15759 3/20 0.55
ABL1 P00519 7/20 0.55
YES1 P07947 3/20 0.55
LYN P07948 3/20 0.55
KIT P10721 3/20 0.55
BCR P11274 3/20 0.55
ERBB2 P04626 2/20 0.55
FGR P09769 2/20 0.55
DDR1 Q08345 3/20 0.54
DDR2 Q16832 3/20 0.54

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
SCHEMBL775273 0.88 LCK (0.76) LCKHCKBTKMAPK14SRC
SCHEMBL1540041 0.86 LCK (0.47) LCKHCKBTKMAPK14SRC
SCHEMBL14569092 0.83 LCK (0.70) LCKHCKMAPK14SRCEGFR
SCHEMBL1540977 0.83 LCK (0.70) LCKHCKMAPK14SRCEGFR
SCHEMBL771868 0.83 LCK (0.70) LCKHCKMAPK14SRCEGFR
SCHEMBL15891879 0.81 LCK (0.68) LCKHCKBTKMAPK14SRC
SCHEMBL14569074 0.81 LCK (0.75) LCKHCKMAPK14SRCEGFR
SCHEMBL774203 0.81 LCK (0.67) LCKHCKMAPK14SRCEGFR
SCHEMBL5607882 0.80 LCK (0.61) LCKHCKMAPK14SRCEGFR
SCHEMBL773969 0.80 LCK (0.82) LCKHCKBTKMAPK14SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169038-B9 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-10 EP claimed
EP-1169038-B1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP claimed
EP-2308833-A2 Cyclic protein tyrosine kinase inhibitors Bristol-Myers Squibb Company (US) 2011-04-13 EP claimed
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-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
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
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO 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 (7 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 1/4885HCK 108/4885BTK 14/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885HCK 93/4885BTK 3/4885
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 2/4885HCK 220/4885BTK 14/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885HCK 93/4885BTK 3/4885
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 20/4885HCK 266/4885BTK 44/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885HCK 1742/4885BTK 538/4885
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 11/4885HCK 185/4885BTK 509/4885

“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.