SCHEMBL1459719

SCHEMBL1459719

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 0.53
▸ AURKB Q96GD4 10/20 0.53
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TTK P33981 4/20 0.47
▸ ITK Q08881 1/20 0.45
▸ MAP2K7 O14733 1/20 0.45
▸ MAP2K4 P45985 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL1460664 0.90 MAPT (0.54) AURKAAURKBMAPTHPGDTTK
SCHEMBL1460552 0.86 MAPK1 (0.54) AURKAAURKBTTKITK
SCHEMBL6297928 0.85 TTK (0.59) AURKAAURKBTTKITKMAP2K7
SCHEMBL4014552 0.85 TTK (0.56) AURKAAURKBTTKITKMAP2K4
SCHEMBL1459783 0.84 MAP2K4 (0.55) AURKAAURKBTTKITKMAP2K7
SCHEMBL1460608 0.84 AURKA (0.52) AURKAAURKBTTKITK
SCHEMBL1459746 0.84 AURKA (0.50) AURKAAURKBTTKITKMAP2K7
SCHEMBL1461791 0.84 TTK (0.53) AURKAAURKBTTKITKMAP2K7
SCHEMBL1460705 0.84 AURKA (0.50) AURKAAURKBTTKITKMAP2K7
SCHEMBL1460842 0.84 MAPK1 (0.52) AURKAAURKBTTKITK

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 12 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-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 AURKA 17/4885AURKB 33/4885MAPT 2426/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 AURKA 65/4885AURKB 67/4885MAPT 3070/4885

“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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