SCHEMBL1607336

SCHEMBL1607336

COc1c(C)cc(Nc2ncc(C)c(Nc3cccc(CNS(=O)(=O)C4CC4)c3)n2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
EGFR P00533 4/20 0.49
BTK Q06187 3/20 0.49
JAK1 P23458 12/20 0.47
JAK2 O60674 11/20 0.47
JAK3 P52333 7/20 0.47
CYP3A4 P08684 2/20 0.47
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
SYK P43405 1/20 0.44
PKMYT1 Q99640 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL1606699 0.93 JAK1 (0.53) BRD4EGFRBTKJAK1JAK2
SCHEMBL1605977 0.92 BRD4 (0.51) BRD4EGFRBTKJAK1JAK2
SCHEMBL1606311 0.90 JAK1 (0.56) BRD4JAK1JAK2JAK3CYP3A4
SCHEMBL1606882 0.90 BRD4 (0.54) BRD4EGFRBTKJAK1JAK2
SCHEMBL1605709 0.86 EGFR (0.52) EGFRBTKJAK1JAK2JAK3
SCHEMBL1607102 0.86 BRD4 (0.50) BRD4EGFRBTKJAK1JAK2
SCHEMBL1606907 0.85 JAK2 (0.57) BRD4JAK1JAK2JAK3CYP3A4
SCHEMBL4971374 0.85 JAK3 (0.62) BRD4EGFRBTKJAK1JAK2
SCHEMBL1607371 0.84 JAK1 (0.56) BRD4EGFRBTKJAK1JAK2
SCHEMBL4971147 0.84 JAK3 (0.56) BRD4EGFRBTKJAK1JAK2

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 538/4885EGFR 529/4885BTK 10/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885EGFR 1733/4885BTK 25/4885

“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.