SCHEMBL1607189

SCHEMBL1607189

C#CCOc1ccc(Nc2ncc(C)c(Nc3ccc(C)c(S(N)(=O)=O)c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.60
JAK2 O60674 8/20 0.60
ITK Q08881 5/20 0.60
TYK2 P29597 5/20 0.60
AURKA O14965 5/20 0.60
SYK P43405 5/20 0.60
EGFR P00533 4/20 0.60
PLK4 O00444 4/20 0.60
DAPK3 O43293 4/20 0.60
PAK4 O96013 4/20 0.60
NTRK1 P04629 4/20 0.60
INSR P06213 4/20 0.60
LCK P06239 4/20 0.60
FYN P06241 4/20 0.60
LYN P07948 4/20 0.60
RET P07949 4/20 0.60
ROS1 P08922 4/20 0.60
FGFR1 P11362 4/20 0.60
SRC P12931 4/20 0.60
FLT1 P17948 4/20 0.60

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
SCHEMBL1474672 1.00 JAK3 (0.60) JAK3JAK2ITKTYK2AURKA
SCHEMBL1275642 0.92 SYK (0.72) JAK3JAK2ITKTYK2AURKA
SCHEMBL1474409 0.92 STK17A (0.57) JAK3JAK2ITKTYK2AURKA
SCHEMBL4002770 0.90 JAK3 (0.62) JAK3JAK2ITKTYK2AURKA
SCHEMBL1474614 0.90 SYK (0.56) JAK3JAK2ITKTYK2AURKA
SCHEMBL1475626 0.89 CDK1 (0.57) JAK3JAK2ITKTYK2AURKA
SCHEMBL1606869 0.89 CDK1 (0.57) JAK3JAK2ITKTYK2AURKA
SCHEMBL1474685 0.89 CA2 (0.60) JAK3JAK2ITKTYK2AURKA
SCHEMBL1474744 0.88 EGFR (0.54) JAK3JAK2ITKTYK2AURKA
SCHEMBL1474824 0.88 JAK3 (0.74) JAK3JAK2ITKTYK2AURKA

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 JAK3 1/4885JAK2 2/4885ITK 637/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885ITK 315/4885

“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.