SCHEMBL1606952

SCHEMBL1606952

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 8/20 0.53
ALK Q9UM73 8/20 0.53
PTK2 Q05397 8/20 0.53
JAK2 O60674 4/20 0.53
JAK3 P52333 4/20 0.53
CDC7 O00311 2/20 0.53
PLK4 O00444 2/20 0.53
CHEK1 O14757 2/20 0.53
DCLK1 O15075 2/20 0.53
PDPK1 O15530 2/20 0.53
DYRK3 O43781 2/20 0.53
ROCK2 O75116 2/20 0.53
PRKD3 O94806 2/20 0.53
MAP4K4 O95819 2/20 0.53
PAK4 O96013 2/20 0.53
CHEK2 O96017 2/20 0.53
ABL1 P00519 2/20 0.53
NTRK1 P04629 2/20 0.53
PRKCG P05129 2/20 0.53
LCK P06239 2/20 0.53

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
SCHEMBL1606991 0.95 ALK (0.47) INSRALKPTK2JAK2JAK3
SCHEMBL1606308 0.94 PTK2 (0.52) INSRALKPTK2JAK2JAK3
SCHEMBL1605651 0.93 ALK (0.46) INSRALKPTK2JAK2JAK3
SCHEMBL1606385 0.93 ALK (0.61) INSRALKPTK2JAK2JAK3
SCHEMBL1608189 0.93 JAK2 (0.49) INSRALKPTK2JAK2JAK3
SCHEMBL1606253 0.90 ALK (0.59) INSRALKPTK2JAK2JAK3
SCHEMBL1607094 0.90 ALK (0.65) INSRALKPTK2JAK2JAK3
SCHEMBL1605710 0.89 JAK3 (0.43) INSRALKPTK2JAK2JAK3
SCHEMBL1606953 0.88 ALK (0.52) INSRALKPTK2JAK2JAK3
SCHEMBL1606670 0.88 ALK (0.55) INSRALKPTK2JAK2JAK3

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 INSR 2315/4885ALK 557/4885PTK2 468/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 INSR 1103/4885ALK 707/4885PTK2 314/4885

“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.