SCHEMBL2148231

SCHEMBL2148231

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.47
JAK2 O60674 12/20 0.47
JAK1 P23458 8/20 0.47
ROCK1 Q13464 4/20 0.47
PKN2 Q16513 4/20 0.47
LRRK2 Q5S007 4/20 0.47
TYK2 P29597 4/20 0.47
RET P07949 4/20 0.47
ROCK2 O75116 3/20 0.47
PRKCD Q05655 3/20 0.47
STK3 Q13188 3/20 0.47
CAMK2D Q13557 3/20 0.47
LCK P06239 3/20 0.47
CAMK1D Q8IU85 3/20 0.47
MARK3 P27448 2/20 0.47
MARK2 Q7KZI7 2/20 0.47
DCLK1 O15075 2/20 0.47
ABL1 P00519 2/20 0.47
FYN P06241 2/20 0.47
DMPK Q09013 2/20 0.47

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
SCHEMBL12395298 0.82 JAK3 (0.53) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL1847638 0.81 HSD11B1 (0.50) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL1848190 0.81 HSD11B1 (0.50) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL12463220 0.80 JAK3 (0.54) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL9921655 0.80 JAK3 (0.52) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL1992463 0.78 JAK3 (0.46) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL2053385 0.78 JAK3 (0.46) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL1992462 0.78 JAK3 (0.46) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL1992467 0.78 JAK3 (0.46) JAK3JAK2JAK1ROCK1PKN2
SCHEMBL19275337 0.78 JAK3 (0.50) JAK3JAK2JAK1ROCK1PKN2

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
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 3/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885

“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.