SCHEMBL1461021

SCHEMBL1461021

CS(=O)(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.57
▸ MAP2K4 P45985 9/20 0.53
▸ MAP2K7 O14733 4/20 0.52
▸ NTRK2 Q16620 1/20 0.51
▸ ITK Q08881 3/20 0.50
▸ AURKA O14965 2/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ TTK P33981 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
SCHEMBL1460573 0.89 ITK (0.54) NTRK1MAP2K4MAP2K7NTRK2ITK
SCHEMBL1460552 0.89 MAPK1 (0.54) NTRK1ITKAURKAAURKBMAPK1
SCHEMBL1459783 0.88 MAP2K4 (0.55) NTRK1MAP2K4MAP2K7ITKAURKA
SCHEMBL1460842 0.87 MAPK1 (0.52) NTRK1ITKAURKAAURKBMAPK1
SCHEMBL1461121 0.85 ITK (0.54) NTRK1MAP2K4MAP2K7NTRK2ITK
SCHEMBL1461740 0.84 ITK (0.53) NTRK1MAP2K4MAP2K7NTRK2ITK
SCHEMBL1460533 0.83 MAPK1 (0.64) NTRK1ITKAURKAAURKBMAPK1
SCHEMBL1460786 0.82 MAP2K4 (0.68) MAP2K4MAP2K7ITKAURKAAURKB
SCHEMBL1460534 0.82 ITK (0.66) MAP2K4MAP2K7ITKAURKAAURKB
SCHEMBL1461732 0.82 AURKA (0.48) NTRK1ITKAURKAAURKBMAPK1

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 NTRK1 1342/4885MAP2K4 340/4885MAP2K7 180/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885MAP2K4 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.

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