SCHEMBL16097281

SCHEMBL16097281

O=C(O)N1C2C=C(c3ccc(Br)cc3)CC1CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
ACHE P22303 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL23124168 0.87 SLC6A4 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL6217469 0.86 SLC6A2 (0.38) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL18110778 0.86 SIGMAR1 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL17548160 0.82 KCNK3 (0.43)
SCHEMBL19128316 0.81 JAK1 (0.39) SLC6A3SLC6A2SLC6A4MEN1NPC1
SCHEMBL20304440 0.74 HPGD (0.35) NPC1RAB9AKMT2A
SCHEMBL23122148 0.74 SLC6A2 (0.37) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL18043573 0.72 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL14081576 0.70 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL21045918 0.70 JAK1 (0.32) SLC6A3SLC6A2SLC6A4

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 5 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
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
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

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 SLC6A3 4786/4885SLC6A2 4811/4885SLC6A4 4083/4885

“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.