SCHEMBL1460784

SCHEMBL1460784

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.49
MAP2K4 P45985 3/20 0.46
MAPK1 P28482 3/20 0.45
AURKA O14965 5/20 0.43
NTRK1 P04629 3/20 0.43
TTK P33981 2/20 0.42
THRB P10828 1/20 0.42
SGK1 O00141 1/20 0.42
MAPK3 P27361 1/20 0.42
AURKB Q96GD4 3/20 0.42
LRRK2 Q5S007 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41

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
SCHEMBL1460706 0.92 LRRK2 (0.50) ITKMAP2K4AURKATTKTHRB
SCHEMBL1460772 0.92 MAPK1 (0.50) ITKMAP2K4MAPK1AURKANTRK1
SCHEMBL1461121 0.86 ITK (0.54) ITKMAP2K4MAPK1AURKANTRK1
SCHEMBL1460552 0.86 MAPK1 (0.54) ITKMAPK1AURKANTRK1TTK
SCHEMBL1460713 0.85 BRD4 (0.50) ITKMAP2K4MAPK1AURKANTRK1
SCHEMBL1461099 0.85 ITK (0.55) ITKMAPK1AURKATTKMAPK3
SCHEMBL1460573 0.84 ITK (0.54) ITKMAP2K4MAPK1AURKANTRK1
SCHEMBL1460736 0.84 ITK (0.49) ITKMAPK1AURKANTRK1TTK
SCHEMBL1461059 0.84 ITK (0.49) ITKMAPK1AURKANTRK1TTK
SCHEMBL1460533 0.84 MAPK1 (0.64) ITKMAPK1AURKANTRK1TTK

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 ITK 222/4885MAP2K4 340/4885MAPK1 396/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885MAP2K4 328/4885MAPK1 418/4885

“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.