SCHEMBL774328

SCHEMBL774328

Cc1cc(C)c(NC(=O)c2sc(NC(=O)Nc3ccc4c5c(cccc35)CC4)nc2C)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.62
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL19768701 0.84 LCK (0.56) LCKLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL774518 0.83 LCK (0.64) LCKLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL773888 0.82 LCK (0.68) LCKLMNAKDM4EALDH1A1MAPT
SCHEMBL773846 0.81 LCK (0.69) LCKSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL773935 0.81 LCK (0.79) LCK
SCHEMBL774467 0.80 LCK (0.78) LCK
SCHEMBL773594 0.79 LCK (0.85) LCK
SCHEMBL773046 0.78 LCK (0.71) LCKKMT2A
SCHEMBL773513 0.78 LCK (0.67) LCK
SCHEMBL772277 0.77 LCK (0.73) LCKKDM4EALDH1A1MAPTKMT2A

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 44 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
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-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-09-15 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-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

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 1/4885LMNA 4656/4885SMN1; SMN2 3879/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885LMNA 4599/4885SMN1; SMN2 3827/4885
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 2/4885LMNA 4799/4885SMN1; SMN2 3468/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885LMNA 4599/4885SMN1; SMN2 3827/4885
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 20/4885LMNA 4080/4885SMN1; SMN2 4666/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885LMNA 4599/4885SMN1; SMN2 3827/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885LMNA 2046/4885SMN1; SMN2 2265/4885
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 11/4885LMNA 4290/4885SMN1; SMN2 3536/4885
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885LMNA 4599/4885SMN1; SMN2 3827/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885LMNA 4599/4885SMN1; SMN2 3827/4885

“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.