SCHEMBL1607375

SCHEMBL1607375

CCc1cnc(Nc2cc(C)c(OC)c(C)c2)nc1Nc1ccc(CNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.52
JAK1 P23458 5/20 0.52
JAK3 P52333 5/20 0.52
FLT3 P36888 4/20 0.52
TYK2 P29597 3/20 0.52
AURKA O14965 1/20 0.45
BRD4 O60885 10/20 0.45
CYP3A4 P08684 2/20 0.42
ALK Q9UM73 1/20 0.40
DAPK3 O43293 1/20 0.39
STK17B O94768 1/20 0.39
DAPK1 P53355 1/20 0.39
STK17A Q9UEE5 1/20 0.39
PTK2 Q05397 1/20 0.38

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
SCHEMBL1606494 0.95 JAK2 (0.49) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606704 0.94 JAK2 (0.49) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606311 0.92 JAK1 (0.56) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1607920 0.91 BRD4 (0.49) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606980 0.90 BRD4 (0.49) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606976 0.90 JAK2 (0.52) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606965 0.90 JAK2 (0.52) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606563 0.87 JAK2 (0.50) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606907 0.87 JAK2 (0.57) JAK2JAK1JAK3FLT3TYK2
SCHEMBL1606939 0.86 JAK2 (0.51) JAK2JAK1JAK3FLT3TYK2

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 9 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
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 JAK2 2/4885JAK1 3/4885JAK3 1/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885

“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.