SCHEMBL1461866

SCHEMBL1461866

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(Br)cc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.51
▸ NTRK1 P04629 3/20 0.43
▸ ACLY P53396 1/20 0.41
▸ SGK1 O00141 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DCLK1 O15075 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ FER P16591 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK1G2 P78368 1/20 0.40

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
SCHEMBL1461740 0.90 ITK (0.53) ITKNTRK1AURKBAURKAMAP2K7
SCHEMBL1459787 0.89 ITK (0.58) ITKNTRK1ACLYSGK1MAPK1
SCHEMBL1459412 0.86 MAPK1 (0.50) ITKNTRK1SGK1MAPK1DCLK1
SCHEMBL1461126 0.85 ITK (0.51) ITKNTRK1ACLYSGK1AURKB
SCHEMBL1461779 0.84 ITK (0.55) ITKNTRK1SGK1MAPK1DYRK1A
SCHEMBL1460705 0.84 AURKA (0.50) ITKMAPK1DCLK1PRKD3MAP4K4
SCHEMBL1461059 0.84 ITK (0.49) ITKNTRK1MAPK1DCLK1PRKD3
SCHEMBL1461780 0.82 ITK (0.55) ITKNTRK1SGK1MAPK1AURKB
SCHEMBL1461121 0.82 ITK (0.54) ITKNTRK1SGK1MAPK1AURKB
SCHEMBL1461707 0.82 ITK (0.52) ITKNTRK1MAPK1AURKBAURKA

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 222/4885NTRK1 1342/4885ACLY 2090/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885NTRK1 1376/4885ACLY 2418/4885

“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.

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