SCHEMBL1461070

SCHEMBL1461070

Nc1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.60
▸ MAP2K4 P45985 13/20 0.56
▸ SGK1 O00141 1/20 0.53
▸ MAP2K7 O14733 4/20 0.52
▸ CHEK1 O14757 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ LIMK1 P53667 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ KIT P10721 1/20 0.49
▸ PGR P06401 1/20 0.49

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
SCHEMBL4003124 0.89 ROCK1 (0.54) ITKMAP2K4SGK1CHEK1PRKD3
SCHEMBL1460521 0.88 ITK (0.60) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1461696 0.88 MAP2K4 (0.56) ITKMAP2K4MAP2K7KMT2A
SCHEMBL1460678 0.87 ITK (0.64) ITKMAP2K4MAP2K7KMT2AKIT
SCHEMBL1460974 0.87 ITK (0.59) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1460719 0.87 ITK (0.59) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL4008411 0.86 ITK (0.56) ITKMAP2K4MAP2K7PGR
SCHEMBL1460692 0.85 MAP2K4 (0.66) ITKMAP2K4MAP2K7
SCHEMBL1460931 0.84 ITK (0.59) ITKMAP2K4MAP2K7KMT2AKIT
SCHEMBL4012823 0.84 ITK (0.56) ITKMAP2K4MAP2K7KMT2AKIT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643910-B2 — — 2011-03-02 — — JP claimed
CN-100369899-C Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2008-02-20 — — CN claimed
JP-2005533004-A — — 2005-11-04 — — JP claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 — — US claimed
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 — — CN 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
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 — — US claimed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 — — EP 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-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
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
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 — — 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 340/4885SGK1 192/4885
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 ITK 2145/4885MAP2K4 4219/4885SGK1 3581/4885

“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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