SCHEMBL1460719

SCHEMBL1460719

O=S(=O)(Nc1ccc2[nH]nc(I)c2c1)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.59
MAP2K4 P45985 17/20 0.55
MAP2K7 O14733 6/20 0.51
KMT2A Q03164 1/20 0.49
PGR P06401 1/20 0.48

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
SCHEMBL4008447 0.91 LMNA (0.54) ITKMAP2K4MAP2K7
SCHEMBL1461070 0.87 ITK (0.60) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1460521 0.87 ITK (0.60) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1460678 0.86 ITK (0.64) ITKMAP2K4MAP2K7KMT2A
SCHEMBL1460974 0.86 ITK (0.59) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1460692 0.84 MAP2K4 (0.66) ITKMAP2K4MAP2K7
SCHEMBL4008411 0.83 ITK (0.56) ITKMAP2K4MAP2K7PGR
SCHEMBL1460931 0.83 ITK (0.59) ITKMAP2K4MAP2K7KMT2A
SCHEMBL4012823 0.83 ITK (0.56) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1461696 0.82 MAP2K4 (0.56) ITKMAP2K4MAP2K7KMT2A

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 16 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
CN-100369899-C Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2008-02-20 CN disclosed
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 CN 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 340/4885MAP2K7 180/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885MAP2K4 328/4885MAP2K7 167/4885

“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.