SCHEMBL775032

SCHEMBL775032

COc1cccc(CCC(=O)Nc2nc(C)c(C(=O)Nc3c(C)cc(C)cc3C)s2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.60
ADORA3 P0DMS8 2/20 0.57
MAOB P27338 2/20 0.57
ADORA2A P29274 2/20 0.57
ADORA2B P29275 2/20 0.57
ADORA1 P30542 2/20 0.57
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 1/20 0.52
KIFC1 Q9BW19 1/20 0.51
MAPT P10636 1/20 0.49
CLK1 P49759 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
SCHEMBL772055 0.90 LCK (0.62) LCK
SCHEMBL773084 0.88 LCK (0.71) LCKNPC1
SCHEMBL773739 0.87 LCK (0.67) LCKKIFC1MAPTCLK1
SCHEMBL772142 0.85 LCK (0.79) LCKMAPT
SCHEMBL6057794 0.84 LCK (0.61) LCKADORA3MAOBADORA2AADORA2B
SCHEMBL774712 0.84 LCK (0.61) LCKRXFP1
SCHEMBL5516480 0.83 RXFP1 (0.61) LCKRXFP1NPC1MAPT
SCHEMBL773569 0.82 LCK (0.68) LCKADORA3MAOBADORA2AADORA2B
SCHEMBL772679 0.82 LCK (0.63) LCKMAPT
SCHEMBL14568842 0.82 LCK (0.67) LCK

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 50 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-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-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-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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
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 1/4885ADORA3 4296/4885MAOB 4419/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885ADORA3 4637/4885MAOB 3870/4885
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 2/4885ADORA3 4083/4885MAOB 4452/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885ADORA3 4637/4885MAOB 3870/4885
US-20040209930-A1 Synergistic methods and compositions for treating cancer IGF1R, CHEK2, MCL1 LCK 333/4885ADORA3 4117/4885MAOB 4448/4885
US-20050288303-A1 Orally administering N-(2-chloro-6-methylphenyl)-2-[4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-6-ylamino]thiazole-5-carboxamide for treating cancer LCK, ERBB2, JAK2 LCK 1/4885ADORA3 3970/4885MAOB 4658/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK LCK 1/4885ADORA3 4637/4885MAOB 3870/4885

“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.