SCHEMBL16098695

SCHEMBL16098695

Brc1ccc(C2=NCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.66
CHRNA3 P32297 12/20 0.66
CHRNA7 P36544 2/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19253727 0.98 CHRNB4 (0.63) CHRNB4CHRNA3CHRNA7RAB9ANPC1
SCHEMBL2045328 0.94 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7RAB9ANPC1
SCHEMBL20310968 0.87 CHRNB4 (0.51) CHRNB4CHRNA3CHRNA7RAB9ANPC1
SCHEMBL24233984 0.79 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2
SCHEMBL895500 0.78 CHRNB4 (1.00) CHRNB4CHRNA3CHRNA7RAB9ALMNA
SCHEMBL4967805 0.78 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7LMNAALDH1A1
SCHEMBL30989312 0.77 CHRNB4 (1.00) CHRNB4CHRNA3CHRNA7LMNASMN1; SMN2
SCHEMBL6797483 0.77 CHRNB4 (0.96) CHRNB4CHRNA3CHRNA7RAB9ALMNA
SCHEMBL19318743 0.75 CHRNB4 (0.42) CHRNB4CHRNA3RAB9AALDH1A1CYP1A2
SCHEMBL4693339 0.72 CHRNB4 (0.55) CHRNB4CHRNA3CHRNA7RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
CN-105189497-B N- (2- cyano heterocycle) Pyrazolopyridine ketone as JANUS kinase inhibitor 默沙东公司 2019-05-03 CN disclosed
CN-105189508-B Naphthenic base nitrile Pyrazolopyridine ketone as JANUS kinase inhibitor 默沙东公司 2018-11-23 CN disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US disclosed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP 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-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
CN-105189508-A Cycloalkyl nitrile pyrazolo pyridones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-23 CN disclosed
CN-105189497-A N-(2-cyano heterocyclyl)pyrazolo pyridones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-23 CN disclosed
CN-105189498-A Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-23 CN disclosed
CN-105121444-A Acyclic cyanoethylpyrazolo pyridones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-02 CN disclosed
WO-2014146492-A1 N-(2-CYANO HETEROCYCLYL)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
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO 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
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO 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 (2 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-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 CHRNB4 4096/4885CHRNA3 3579/4885CHRNA7 3090/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 CHRNB4 2989/4885CHRNA3 1935/4885CHRNA7 1898/4885

“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.