SCHEMBL16098320

SCHEMBL16098320

CCN1C(=O)c2cc(Br)ccc2S1(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.61
CA9 Q16790 11/20 0.61
CA2 P00918 5/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2010276 0.87 CA12 (0.61) CA12CA9CA2NPC1RAB9A
SCHEMBL20311371 0.85 CA9 (0.65) CA12CA9CA2NPC1RAB9A
SCHEMBL16126371 0.80 CA12 (0.46) CA12CA9CA2NPC1RAB9A
SCHEMBL16101516 0.79 CA12 (0.42) CA12CA9CA2NPC1RAB9A
SCHEMBL22226932 0.78 CA9 (0.58) CA12CA9CA2NPC1RAB9A
SCHEMBL19834265 0.77 MAPT (0.44) CA12CA9CA2NPC1RAB9A
SCHEMBL30834902 0.76 CA12 (1.00) CA12CA9CA2ALDH1A1CYP2C19
SCHEMBL1101896 0.76 CA12 (1.00) CA12CA9CA2ALDH1A1CYP2C19
SCHEMBL12631632 0.75 CA12 (0.50) CA12CA9CA2NPC1RAB9A
SCHEMBL14093181 0.75 CA9 (0.45) CA12CA9CA2NPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US 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
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-2014146246-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 (1 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-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CA12 4822/4885CA9 4183/4885CA2 4032/4885

“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.