SCHEMBL16099540

SCHEMBL16099540

CC1c2ccc(Br)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 1/20 0.42
USP30 Q70CQ3 3/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.39
HDAC8 Q9BY41 3/20 0.39
UCHL1 P09936 1/20 0.37
ABHD6 Q9BV23 2/20 0.37
ESR2 Q92731 1/20 0.37
NAMPT P43490 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL28386200 1.00 NR1H2 (0.42) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL29410655 1.00 NR1H2 (0.42) NR1H2NR1H3USP30JAK2JAK1
SCHEMBL29676621 0.87 NR1H2 (0.43) NR1H2NR1H3USP30UCHL1ABHD6
SCHEMBL12280043 0.87 NR1H2 (0.43) NR1H2NR1H3USP30UCHL1ABHD6
SCHEMBL12279637 0.87 NR1H2 (0.41) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL18940159 0.87 NR1H2 (0.42) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL15778766 0.87 NR1H2 (0.44) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL18939975 0.85 NR1H2 (0.43) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL29881697 0.85 NR1H2 (0.41) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL18940022 0.85 NR1H2 (0.41) NR1H2NR1H3USP30MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-09-08 US disclosed
EP-2987787-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY Juntendo Educational Foundation (JP) 2016-02-24 EP disclosed
EP-2976340-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146490-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 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 (4 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 NR1H2 784/4885NR1H3 662/4885USP30 4343/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 NR1H2 759/4885NR1H3 650/4885USP30 4215/4885
US-20160257651-A1 NOVEL COMPOUND WITH ANTIBACTERIAL ACTIVITY SLC11A2, RELA, NFKBIA NR1H2 808/4885NR1H3 1085/4885USP30 2923/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 NR1H2 2379/4885NR1H3 2464/4885USP30 1018/4885

“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.