SCHEMBL1606994

SCHEMBL1606994

CCOc1cc(Nc2ncc(Cl)c(Nc3ccc(CNS(=O)(=O)C4CC4)cc3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.56
ALK Q9UM73 5/20 0.50
JAK2 O60674 2/20 0.50
TYK2 P29597 2/20 0.50
FLT3 P36888 2/20 0.50
JAK3 P52333 2/20 0.50
EGFR P00533 2/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DCLK1 O15075 1/20 0.50
MAPK13 O15264 1/20 0.50
PDPK1 O15530 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50

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
SCHEMBL1607142 0.96 BRD4 (0.60) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606317 0.93 BRD4 (0.56) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606426 0.91 BRD4 (0.54) BRD4JAK2TYK2FLT3JAK3
SCHEMBL1606839 0.91 BRD4 (0.54) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606976 0.88 JAK2 (0.52) BRD4ALKJAK2TYK2FLT3
SCHEMBL1607920 0.88 BRD4 (0.49) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606823 0.87 EGFR (0.53) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606240 0.87 JAK2 (0.49) BRD4ALKJAK2TYK2FLT3
SCHEMBL1607288 0.87 BRD4 (0.52) BRD4ALKJAK2TYK2FLT3
SCHEMBL1606963 0.87 BRD4 (0.58) BRD4ALKJAK2TYK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 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-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885ALK 557/4885JAK2 2/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885ALK 707/4885JAK2 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.