SCHEMBL2148342

SCHEMBL2148342

C[C@@H]1CCN(C2(CC#N)COC2)C[C@@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.61
JAK2 O60674 12/20 0.61
JAK1 P23458 11/20 0.61
TYK2 P29597 6/20 0.61
PKN2 Q16513 4/20 0.61
ROCK2 O75116 3/20 0.61
PRKCD Q05655 3/20 0.61
STK3 Q13188 3/20 0.61
ROCK1 Q13464 3/20 0.61
CAMK2D Q13557 3/20 0.61
LRRK2 Q5S007 3/20 0.61
MARK3 P27448 2/20 0.61
MARK2 Q7KZI7 2/20 0.61
AURKB Q96GD4 2/20 0.61
DCLK1 O15075 2/20 0.61
ABL1 P00519 2/20 0.61
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
RET P07949 2/20 0.61
DMPK Q09013 2/20 0.61

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
SCHEMBL5335321 0.81 JAK3 (0.72) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12832942 0.80 JAK3 (0.45) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12832982 0.80 JAK3 (0.41) JAK3JAK2JAK1TYK2PKN2
SCHEMBL12395132 0.79 JAK1 (0.41) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28407519 0.78 JAK2 (0.77) JAK3JAK2JAK1TYK2PKN2
SCHEMBL22521799 0.77 JAK3 (0.68) JAK3JAK2JAK1TYK2PKN2
SCHEMBL27945686 0.77 JAK3 (0.68) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL23058868 0.76 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL30925309 0.76 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL30341861 0.76 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 3/4885

“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.