Sugi Predict

Sugi Predict / Compounds / SCHEMBL131879

SCHEMBL131879

SCHEMBL131879

[CH2]C(C)(C)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 3/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL2478389 0.78 TSHR (0.48) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL6063978 0.78 TSHR (0.48) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL4675881 0.76 TSHR (0.46) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL448528 0.76 TSHR (0.46) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL4675760 0.76 TSHR (0.46) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL7064236 0.75 TSHR (0.40) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL12128600 0.74 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL4675877 0.74 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL454299 0.74 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A
SCHEMBL5824309 0.74 TSHR (0.43) TSHRMEN1KMT2ALMNAADRA1A

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-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 — — EP claimed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US claimed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — US claimed
EP-2976339-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 — — EP claimed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 — — WO claimed
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
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 — — 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — US disclosed
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 — — EP 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
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 — — US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 — — EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 — — CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 — — US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 — — EP 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 (5 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 TSHR 1358/4885MEN1 2500/4885KMT2A 1636/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 TSHR 1358/4885MEN1 2500/4885KMT2A 1636/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 TSHR 1420/4885MEN1 3295/4885KMT2A 3400/4885
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 TSHR 2086/4885MEN1 2076/4885KMT2A 1159/4885
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TSHR 1817/4885MEN1 4231/4885KMT2A 3361/4885

“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.