SCHEMBL1539978

SCHEMBL1539978

O=[N+]([O-])c1ccc2[nH]c(NCCCn3ccnc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.53
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
POLB P06746 2/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
QPCT Q16769 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PIM1 P11309 1/20 0.47
CYP19A1 P11511 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.43
SOD1 P00441 1/20 0.43

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
SCHEMBL1540078 0.82 PIM1 (0.52) POLBQPCTALDH1A1PIM1KMT2A
SCHEMBL5189230 0.78 QPCT (0.69) POLBMAOAMAOBQPCTALDH1A1
SCHEMBL6067843 0.76 QPCT (0.69) RIPK1POLBMAOAMAOBQPCT
SCHEMBL6573888 0.75 POLB (0.55) POLBMAOAMAOBQPCTALDH1A1
SCHEMBL6572180 0.75 POLB (0.55) POLBMAOAMAOBQPCTALDH1A1
SCHEMBL6570557 0.75 ALDH1A1 (0.54) POLBMAOAMAOBQPCTALDH1A1
SCHEMBL5903400 0.75 POLB (0.66) POLBMAOAMAOBQPCTALDH1A1
SCHEMBL5665602 0.74 RIPK1 (0.57) RIPK1CCNT1CDK9ALDH1A1KMT2A
SCHEMBL31154137 0.73 TSHR (0.64) RIPK1CCNT1CDK9POLBALDH1A1
SCHEMBL9849431 0.73 MAOA (0.56) POLBMAOAMAOBQPCTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 US disclosed
US-8993567-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-31 US disclosed
US-20140206691-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8716323-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
EP-1169038-B9 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-10 EP disclosed
EP-1169038-B1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP 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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
US-20040073026-A1 Autoimmune diseases; anticancer agents LCK, SSB, JAK1 RIPK1 268/4885CCNT1 927/4885CDK9 165/4885
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
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 RIPK1 299/4885CCNT1 1418/4885CDK9 155/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
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 RIPK1 708/4885CCNT1 1384/4885CDK9 29/4885
US-20140206691-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
US-20160264537-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
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 RIPK1 987/4885CCNT1 882/4885CDK9 357/4885
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 RIPK1 1094/4885CCNT1 1818/4885CDK9 551/4885
US-20060079563-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK RIPK1 596/4885CCNT1 787/4885CDK9 326/4885

“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.