SCHEMBL14824203

SCHEMBL14824203

CC(C)(C)OC(=O)C1CCC(=CC#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
DRD3 P35462 1/20 0.39
CTSK P43235 2/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
JAK1 P23458 3/20 0.31
JAK2 O60674 2/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL16097515 0.79 DRD3 (0.32) DRD3CTSK
SCHEMBL14824210 0.78 CTSK (0.53) CTSKKMT2A
SCHEMBL6974068 0.78 HRH3 (0.39) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL31149674 0.74 HRH3 (0.44) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1700349 0.74 HRH3 (0.44) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1295721 0.73 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL28492122 0.73 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL186721 0.73 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2AMAPK1
SCHEMBL20743818 0.73 HRH3 (0.43) HRH3MEN1ALDH1A1KMT2AMAPK1
Ammonia Solution, Strong SCHEMBL22325365 0.73 HRH3 (0.43) HRH3MEN1ALDH1A1KMT2AMAPK1

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 6 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-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
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 (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-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HRH3 675/4885DRD3 4191/4885CTSK 841/4885

“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.