SCHEMBL1608189

SCHEMBL1608189

CCNS(=O)(=O)NCc1ccccc1Nc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.49
JAK3 P52333 5/20 0.49
CYP3A4 P08684 3/20 0.49
JAK1 P23458 3/20 0.49
PTK2 Q05397 10/20 0.49
ALK Q9UM73 4/20 0.49
INSR P06213 3/20 0.49
ULK1 O75385 2/20 0.49
CDC7 O00311 2/20 0.49
PLK4 O00444 2/20 0.49
CHEK1 O14757 2/20 0.49
DCLK1 O15075 2/20 0.49
PDPK1 O15530 2/20 0.49
DYRK3 O43781 2/20 0.49
ROCK2 O75116 2/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
PAK4 O96013 2/20 0.49
CHEK2 O96017 2/20 0.49
ABL1 P00519 2/20 0.49

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
SCHEMBL1606308 0.96 PTK2 (0.52) JAK2JAK3CYP3A4JAK1PTK2
SCHEMBL1605710 0.95 JAK3 (0.43) JAK2JAK3CYP3A4JAK1PTK2
SCHEMBL1606253 0.93 ALK (0.59) JAK2JAK3PTK2ALKINSR
SCHEMBL1606952 0.93 INSR (0.53) JAK2JAK3CYP3A4JAK1PTK2
SCHEMBL1605651 0.91 ALK (0.46) JAK2JAK3CYP3A4JAK1PTK2
SCHEMBL1606289 0.89 PKMYT1 (0.42) JAK2JAK3JAK1PTK2ALK
SCHEMBL1606991 0.89 ALK (0.47) JAK2JAK3JAK1PTK2ALK
SCHEMBL1607097 0.87 ALK (0.54) JAK2JAK3PTK2ALKINSR
SCHEMBL1607094 0.87 ALK (0.65) JAK2JAK3PTK2ALKINSR
SCHEMBL1606725 0.87 AURKA (0.45) JAK2JAK3PTK2ALKINSR

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 JAK2 2/4885JAK3 1/4885CYP3A4 2685/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885CYP3A4 2573/4885

“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.