SCHEMBL772863

SCHEMBL772863

CCCCNC(=O)Nc1nc(C)c(C(=O)Nc2c(OC)cccc2OC)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.71
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CHRNA7 P36544 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL774052 0.87 LCK (0.86) LCKSMN1; SMN2NPC1RAB9ACHRNA7
SCHEMBL773159 0.85 LCK (0.90) LCKSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6000612 0.84 LCK (0.58) LCKSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL775446 0.83 LCK (1.00) LCKALDH1A1CHRNA7LMNA
SCHEMBL772539 0.82 LCK (0.58) LCKSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL774719 0.81 LCK (0.67) LCKSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL773918 0.81 LCK (1.00) LCKSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL774425 0.81 LCK (0.75) LCKSMN1; SMN2NPC1RAB9ACHRNA7
SCHEMBL775048 0.80 LCK (0.68) LCKSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL772958 0.80 LCK (0.71) LCKSMN1; SMN2NPC1RAB9ANPSR1

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 42 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
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-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-7153856-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-7091223-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-15 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
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 (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 1/4885SMN1; SMN2 3879/4885ALDH1A1 4643/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885
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 2/4885SMN1; SMN2 3468/4885ALDH1A1 3806/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885
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 20/4885SMN1; SMN2 4666/4885ALDH1A1 2961/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885SMN1; SMN2 2265/4885ALDH1A1 3731/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885

“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.