SCHEMBL773381

SCHEMBL773381

CCc1ccccc1NC(=O)c1cnc(Nc2cccc(NCCCn3ccnc3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.49
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 3/20 0.42
QPCT Q16769 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
HDAC1 Q13547 3/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL772112 0.92 LCK (0.54) LCKNAMPTQPCTABL1
SCHEMBL774389 0.91 LCK (0.55) LCKKDM4EL3MBTL1NAMPTQPCT
SCHEMBL774149 0.90 LCK (0.55) LCKKDM4EL3MBTL1NAMPTQPCT
SCHEMBL774604 0.88 LCK (0.50) LCKKDM4EL3MBTL1NAMPTQPCT
SCHEMBL773549 0.85 LCK (0.52) LCKL3MBTL1NAMPTQPCTALDH1A1
SCHEMBL774538 0.84 ALDH1A1 (0.51) LCKKDM4ENAMPTQPCTTP53
SCHEMBL774167 0.84 LCK (0.52) LCKKDM4EL3MBTL1NAMPTQPCT
SCHEMBL774515 0.84 QPCT (0.53) LCKQPCTTP53MAPK1ALDH1A1
SCHEMBL774920 0.83 LCK (0.47) LCKKDM4ENAMPTQPCTALDH1A1
SCHEMBL774800 0.83 LCK (0.71) LCKABL1BCRHTTKIT

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 53 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-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-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 (8 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 1/4885KDM4E 1547/4885L3MBTL1 4160/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885KDM4E 2347/4885L3MBTL1 2874/4885
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 2/4885KDM4E 114/4885L3MBTL1 2907/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885KDM4E 2347/4885L3MBTL1 2874/4885
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 20/4885KDM4E 9/4885L3MBTL1 4297/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885KDM4E 3322/4885L3MBTL1 2171/4885
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 11/4885KDM4E 254/4885L3MBTL1 1891/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885KDM4E 2347/4885L3MBTL1 2874/4885

“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.