SCHEMBL1460627

SCHEMBL1460627

Nc1n[nH]c2ccc(NS(=O)(=O)c3c(F)cccc3F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 8/20 0.55
ROCK1 Q13464 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
PRKD3 O94806 3/20 0.53
LIMK1 P53667 3/20 0.53
CHEK1 O14757 1/20 0.53
CDK8 P49336 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
JAK2 O60674 7/20 0.50
PLK4 O00444 3/20 0.50
DAPK3 O43293 3/20 0.50
DYRK3 O43781 3/20 0.50
ROCK2 O75116 3/20 0.50
MAP4K4 O95819 3/20 0.50
CDK1 P06493 3/20 0.50
CDK2 P24941 3/20 0.50
MARK3 P27448 3/20 0.50
TYK2 P29597 3/20 0.50
CLK2 P49760 3/20 0.50
JAK3 P52333 3/20 0.50

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
SCHEMBL1460577 0.85 JAK2 (0.56) SGK1ROCK1CLK4PRKD3LIMK1
SCHEMBL1461070 0.82 ITK (0.60) SGK1ROCK1CLK4PRKD3LIMK1
SCHEMBL4003124 0.81 ROCK1 (0.54) SGK1ROCK1CLK4PRKD3LIMK1
SCHEMBL1460752 0.76 ROCK1 (0.58) SGK1ROCK1CLK4PRKD3LIMK1
SCHEMBL27676127 0.73 JAK2 (0.54) SGK1ROCK1CLK4PRKD3LIMK1
SCHEMBL28270280 0.73 HTR6 (0.61) PKM
SCHEMBL29530798 0.73 HTR6 (0.61) PKM
SCHEMBL1460534 0.72 ITK (0.66) SGK1AURKBITK
SCHEMBL1461696 0.71 MAP2K4 (0.56) AURKBITK
SCHEMBL1460521 0.70 ITK (0.60) AURKBKDRITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643910-B2 2011-03-02 JP claimed
JP-2005533004-A 2005-11-04 JP claimed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US claimed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO claimed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
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
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 SGK1 192/4885ROCK1 451/4885CLK4 608/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 SGK1 241/4885ROCK1 437/4885CLK4 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.