SCHEMBL871898

SCHEMBL871898

CC(C)(C)OC(=O)N1CC(C(F)S(=O)(=O)c2ccccc2)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.32
JAK1 P23458 6/20 0.32
JAK3 P52333 2/20 0.32
TYK2 P29597 1/20 0.32
GPR119 Q8TDV5 5/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TNK2 Q07912 1/20 0.31
PIK3CD O00329 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20527962 0.88 JAK2 (0.36) JAK2JAK1JAK3TYK2GPR119
SCHEMBL870873 0.84 JAK2 (0.34) JAK2JAK1GPR119PIK3CAMTOR
SCHEMBL1396318 0.82 JAK1 (0.39) JAK2JAK1JAK3TYK2GPR119
SCHEMBL871336 0.81 JAK2 (0.43) JAK2JAK1JAK3TYK2
SCHEMBL20713907 0.77 JAK2 (0.42) JAK2JAK1JAK3
SCHEMBL29540339 0.77 JAK2 (0.42) JAK2JAK1JAK3
SCHEMBL1498934 0.77 HTT (0.41) JAK2GPR119TNK2PIK3CD
SCHEMBL859925 0.77 SRC (0.35) GPR119PIK3CD
SCHEMBL2399602 0.76 JAK2 (0.55) JAK2JAK1
SCHEMBL22730937 0.76 JAK2 (0.40) JAK2JAK1JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-08-29 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-8158616-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2012-04-17 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US 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 (3 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-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 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.