SCHEMBL4008404

SCHEMBL4008404

CS(=O)(=O)Nc1n[nH]c2ccc(N)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.60
JAK2 O60674 7/20 0.53
CLK4 Q9HAZ1 5/20 0.53
JAK3 P52333 5/20 0.53
ROCK1 Q13464 4/20 0.53
LIMK1 P53667 4/20 0.53
PLK4 O00444 4/20 0.53
DAPK3 O43293 4/20 0.53
CDK1 P06493 4/20 0.53
CDK2 P24941 4/20 0.53
TYK2 P29597 4/20 0.53
CLK2 P49760 4/20 0.53
CDK5 Q00535 4/20 0.53
DYRK1A Q13627 4/20 0.53
PKN2 Q16513 4/20 0.53
AURKB Q96GD4 4/20 0.53
PRKD3 O94806 3/20 0.53
DYRK3 O43781 3/20 0.53
ROCK2 O75116 3/20 0.53
MAP4K4 O95819 3/20 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
SCHEMBL4007120 0.79 GSK3B (0.69) GSK3BJAK2ROCK1ROCK2CDK8
SCHEMBL28612625 0.78 CSNK2A1 (0.55) GSK3BJAK2CLK4JAK3ROCK1
SCHEMBL4003944 0.77 CDK2 (0.53) GSK3BJAK2CLK4JAK3ROCK1
SCHEMBL11701839 0.77 GSK3B (0.66) GSK3BJAK2ROCK1ROCK2AXL
SCHEMBL627302 0.76 GSK3B (0.60) GSK3BJAK2CLK4JAK3LIMK1
SCHEMBL13789198 0.72 GSK3B (0.59) GSK3BJAK2JAK1FADS1
SCHEMBL1461484 0.71 GSK3B (0.70) GSK3BCLK4PLK4DAPK3CDK1
SCHEMBL118573 0.70 JAK2 (0.64) GSK3BJAK2CLK4JAK3ROCK1
SCHEMBL1460931 0.70 ITK (0.59) ITKMAP2K4
SCHEMBL4498676 0.70 GSK3B (0.56) GSK3BFADS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 GSK3B 75/4885JAK2 262/4885CLK4 608/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 GSK3B 100/4885JAK2 272/4885CLK4 639/4885

“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.