SCHEMBL4971287

SCHEMBL4971287

CNS(=O)(=O)c1ccc(Nc2ncc(C)c(Nc3ccc(CNS(=O)(=O)C4CC4)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.56
JAK2 O60674 3/20 0.56
FLT3 P36888 3/20 0.56
JAK1 P23458 3/20 0.56
TYK2 P29597 1/20 0.56
BRD4 O60885 8/20 0.50
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
PTK2 Q05397 1/20 0.44
PTK2B Q14289 1/20 0.44
AURKA O14965 1/20 0.44
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
PLK2 Q9NYY3 1/20 0.43
STK4 Q13043 1/20 0.43
EGFR P00533 1/20 0.42
BTK Q06187 1/20 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
SCHEMBL1115857 0.92 JAK3 (0.63) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4973874 0.91 JAK3 (0.55) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4975511 0.91 BRD4 (0.54) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4973653 0.91 BRD4 (0.56) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4974495 0.91 FLT3 (0.54) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4971262 0.91 JAK1 (0.54) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4973890 0.90 JAK1 (0.53) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4971440 0.90 JAK1 (0.58) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4971154 0.90 JAK2 (0.53) JAK3JAK2FLT3JAK1TYK2
SCHEMBL4973466 0.89 JAK3 (0.59) JAK3JAK2FLT3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US claimed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP claimed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP disclosed
US-9481654-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-06-11 US disclosed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP disclosed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 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 (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-20070203162-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885FLT3 453/4885
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885FLT3 46/4885

“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.