SCHEMBL1459779

SCHEMBL1459779

CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.60
ITK Q08881 2/20 0.59
AURKB Q96GD4 10/20 0.58
MAP2K4 P45985 2/20 0.58
MAP2K7 O14733 1/20 0.58
TTK P33981 2/20 0.55
MAPK1 P28482 1/20 0.54
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL1461030 0.91 AURKA (0.67) AURKAITKAURKBMAP2K4MAP2K7
SCHEMBL1459765 0.91 AURKA (0.68) AURKAITKAURKBMAP2K4TTK
SCHEMBL1460786 0.88 MAP2K4 (0.68) AURKAITKAURKBMAP2K4MAP2K7
SCHEMBL1461117 0.88 AURKB (0.59) AURKAITKAURKBMAP2K4TTK
SCHEMBL1460585 0.88 AURKA (0.63) AURKAITKAURKBMAP2K4TTK
SCHEMBL1461867 0.87 MAPK1 (0.51) AURKAITKAURKBMAP2K4MAP2K7
SCHEMBL1461656 0.87 AURKA (0.69) AURKAITKAURKBMAP2K4TTK
SCHEMBL1461704 0.87 BRD4 (0.60) AURKAITKAURKBMAP2K4TTK
SCHEMBL1460865 0.86 AURKA (0.64) AURKAITKAURKBTTK
SCHEMBL1460552 0.86 MAPK1 (0.54) AURKAITKAURKBTTKMAPK1

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 AURKA 17/4885ITK 222/4885AURKB 33/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 AURKA 65/4885ITK 266/4885AURKB 67/4885

“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.