SCHEMBL1607102

SCHEMBL1607102

COc1ccc(Nc2ncc(C)c(Nc3cccc(CNS(=O)(=O)C4CC4)c3)n2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.50
SYK P43405 1/20 0.47
EGFR P00533 2/20 0.47
BTK Q06187 2/20 0.47
BCL6 P41182 2/20 0.45
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
JAK3 P52333 3/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
PKMYT1 Q99640 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
SCHEMBL1606224 0.93 BRD4 (0.52) BRD4BCL6STK17BSTK17AJAK3
SCHEMBL1606699 0.88 JAK1 (0.53) BRD4SYKEGFRBTKJAK3
SCHEMBL1607336 0.86 BRD4 (0.51) BRD4SYKEGFRBTKJAK3
SCHEMBL1607288 0.85 BRD4 (0.52) BRD4EGFRBCL6STK17BSTK17A
SCHEMBL1606882 0.85 BRD4 (0.54) BRD4SYKEGFRBTKJAK3
SCHEMBL1606823 0.84 EGFR (0.53) BRD4SYKEGFRBTKBCL6
SCHEMBL1605977 0.84 BRD4 (0.51) BRD4EGFRBTKBCL6STK17A
SCHEMBL1607225 0.84 BRD4 (0.52) BRD4EGFRBTKSTK17AJAK3
SCHEMBL1605451 0.83 BCL6 (0.59) SYKEGFRBCL6STK17BSTK17A
SCHEMBL4971147 0.83 JAK3 (0.56) BRD4SYKEGFRBTKSTK17A

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 538/4885SYK 62/4885EGFR 529/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885SYK 130/4885EGFR 1733/4885

“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.