SCHEMBL1539923

SCHEMBL1539923

CC(C)(C)OC(=O)ONc1ncc(C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CCNE2 O96020 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
FFAR2 O15552 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
Hydrochloric Acid SCHEMBL1540153 0.99 HCAR2 (0.41) HCAR2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1540152 0.87 CCNE2 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDCCNE1
SCHEMBL1539914 0.83 CDC7 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDCCNE1
SCHEMBL951493 0.79 CA1 (0.46) HCAR2SMN1; SMN2ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1984391 0.78 CA1 (0.45) HCAR2SMN1; SMN2ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5663258 0.75 L3MBTL1 (0.40) HCAR2SMN1; SMN2ALDH1A1FFAR2RAB9A
SCHEMBL17029212 0.74 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4299723 0.73 BCHE (0.43) HCAR2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL186141 0.72 HCAR2 (0.53) HCAR2SMN1; SMN2CCNE1CDK2CCNE2
SCHEMBL1540081 0.71 LCK (0.43) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610780-B2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2022-11-23 EP 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-9382219-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 US disclosed
US-20150259337-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF DASATINIB CERBIOS-PHARMA SA (CH) 2015-09-17 US disclosed
EP-2918584-A1 Process and intermediates for the preparation of dasatinib Cerbios-Pharma S.A. (CH) 2015-09-16 EP disclosed
US-9115124-B1 Process and intermediates for the preparation of dasatinib CERBIOS-PHARMA SA (CH) 2015-08-25 US disclosed
US-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 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
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004085388-A2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-10-07 WO disclosed
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 disclosed
US-20040073026-A1 Autoimmune diseases; anticancer agents DAS JAGABANDHU (US) 2004-04-15 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
US-6596746-B1 protein tyrosine kinase-associated disorders such as immunologic and oncologic disorders; dasatinib BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 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 (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-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK HCAR2 3940/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885
US-20040073026-A1 Autoimmune diseases; anticancer agents LCK, SSB, JAK1 HCAR2 3108/4885SMN1; SMN2 3879/4885ALDH1A1 4643/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK HCAR2 3940/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885
US-20150259337-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF DASATINIB ABL1, SRC, ABL2 HCAR2 4689/4885SMN1; SMN2 2110/4885ALDH1A1 1654/4885
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 HCAR2 917/4885SMN1; SMN2 3468/4885ALDH1A1 3806/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK HCAR2 3940/4885SMN1; 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 HCAR2 409/4885SMN1; SMN2 4666/4885ALDH1A1 2961/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK HCAR2 3940/4885SMN1; SMN2 3827/4885ALDH1A1 4758/4885
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 HCAR2 179/4885SMN1; SMN2 3536/4885ALDH1A1 2074/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK HCAR2 3940/4885SMN1; 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.