SCHEMBL774835

SCHEMBL774835

Cc1cc(Nc2ncc(C(=O)Nc3ccccc3)s2)nc(C)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.69
ABL1 P00519 5/20 0.68
BCR P11274 3/20 0.68
MAPK14 Q16539 2/20 0.68
SRC P12931 2/20 0.68
KIT P10721 2/20 0.68
MAPK13 O15264 1/20 0.68
EGFR P00533 1/20 0.68
ERBB2 P04626 1/20 0.68
FYN P06241 1/20 0.68
YES1 P07947 1/20 0.68
LYN P07948 1/20 0.68
HCK P08631 1/20 0.68
FGR P09769 1/20 0.68
JAK3 P52333 1/20 0.68
MAPK12 P53778 1/20 0.68
MAPK11 Q15759 1/20 0.68
HDAC1 Q13547 2/20 0.50
SIK1 P57059 1/20 0.49
SIK2 Q9H0K1 1/20 0.49

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
SCHEMBL22964561 0.89 LCK (0.60) LCKABL1BCRMAPK14SRC
SCHEMBL774847 0.87 LCK (0.71) LCKABL1BCRMAPK14SRC
SCHEMBL20633186 0.85 LCK (0.86) LCKABL1BCRMAPK14SRC
SCHEMBL10038786 0.85 LCK (0.71) LCKABL1BCRMAPK14SRC
SCHEMBL775128 0.84 LCK (0.66) LCKABL1BCRMAPK14SRC
SCHEMBL27768520 0.82 LCK (0.61) LCKABL1BCRMAPK14SRC
SCHEMBL774475 0.82 LCK (0.71) LCKABL1BCRMAPK14SRC
SCHEMBL774309 0.82 LCK (1.00) LCKABL1BCRMAPK14SRC
SCHEMBL774220 0.81 LCK (1.00) LCKABL1BCRMAPK14SRC
SCHEMBL31060141 0.81 LCK (1.00) LCKABL1BCRMAPK14SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308833-A2 Cyclic protein tyrosine kinase inhibitors Bristol-Myers Squibb Company (US) 2011-04-13 EP claimed
CN-101481359-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-07-15 CN 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
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP 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
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO 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-20040054186-A1 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
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 disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP disclosed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO 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 1/4885ABL1 19/4885BCR 294/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885ABL1 2/4885BCR 72/4885
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 2/4885ABL1 65/4885BCR 223/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885ABL1 2/4885BCR 72/4885
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 20/4885ABL1 206/4885BCR 1246/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885ABL1 25/4885BCR 420/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885ABL1 2/4885BCR 72/4885

“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.