SCHEMBL1461652

SCHEMBL1461652

O=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.60
AURKA O14965 8/20 0.54
AURKB Q96GD4 6/20 0.54
TTK P33981 2/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN5 P54829 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
PGR P06401 1/20 0.52
KIT P10721 1/20 0.52
ITK Q08881 1/20 0.52
MAP2K7 O14733 1/20 0.49
MAPK1 P28482 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
SCHEMBL4009760 0.95 MAP2K4 (0.63) MAP2K4AURKAAURKBTTKPTPN2
SCHEMBL1461030 0.87 AURKA (0.67) MAP2K4AURKAAURKBTTKITK
SCHEMBL1460662 0.86 PGR (0.62) MAP2K4AURKAAURKBTTKPTPN2
SCHEMBL1460703 0.86 AURKA (0.56) MAP2K4AURKAAURKBTTKPGR
SCHEMBL1460955 0.85 KMT2A (0.60) MAP2K4AURKAAURKBTTKPGR
SCHEMBL1460756 0.85 AURKA (0.57) MAP2K4AURKAAURKBTTKITK
SCHEMBL1460621 0.85 TTK (0.65) MAP2K4AURKAAURKBTTKITK
SCHEMBL1461661 0.84 MAP2K4 (0.52) MAP2K4PTPN2PTPN1PTPN5LNPEP
SCHEMBL1459763 0.84 MAP2K4 (0.56) MAP2K4AURKAAURKBTTKKIT
SCHEMBL1461117 0.84 AURKB (0.59) MAP2K4AURKAAURKBTTKITK

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 MAP2K4 340/4885AURKA 17/4885AURKB 33/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 MAP2K4 328/4885AURKA 65/4885AURKB 67/4885

“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.