SCHEMBL14823741

SCHEMBL14823741

C/C(=C\C#N)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.45
GPR119 Q8TDV5 7/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 3/20 0.42

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
SCHEMBL15918769 1.00 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8618356 0.87 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4464773 0.84 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4464769 0.84 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL10051294 0.84 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL13599001 0.83 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15868005 0.82 USP2 (0.47) HPGDRECQLKMT2AMEN1ALDH1A1
SCHEMBL8616609 0.81 RECQL (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8616610 0.81 RECQL (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8065517 0.79 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
EP-2758050-B1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-08-31 EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
WO-2013043964-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 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-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HPGD 1226/4885RECQL 3783/4885PTPN2 750/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HPGD 1715/4885RECQL 3985/4885PTPN2 732/4885

“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.