SCHEMBL1461052

SCHEMBL1461052

O=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.76
BRD4 O60885 2/20 0.58
MAPK1 P28482 2/20 0.53
HSPD1 P10809 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN5 P54829 1/20 0.53
HSPE1 P61604 1/20 0.53
MAPK3 P27361 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
AURKA O14965 6/20 0.50
AURKB Q96GD4 4/20 0.50
ITK Q08881 1/20 0.48
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2569888 0.86 TTK (1.00) TTKAURKBCYP3A4CYP2C9
SCHEMBL1459728 0.84 TTK (0.61) TTKBRD4ITK
SCHEMBL1461030 0.83 AURKA (0.67) TTKBRD4MAPK1AURKAAURKB
SCHEMBL1461803 0.82 PTPN2 (0.54) TTKMAPK1HSPD1PTPN2PTPN5
SCHEMBL1460755 0.79 MAPK1 (0.61) TTKMAPK1MAPK3AURKAAURKB
SCHEMBL1460621 0.79 TTK (0.65) TTKAURKAAURKBITK
SCHEMBL1459779 0.78 AURKA (0.60) TTKMAPK1AURKAAURKBITK
SCHEMBL1461110 0.78 TTK (0.55) TTKBRD4MAPK1PTPN2PTPN5
SCHEMBL1461117 0.78 AURKB (0.59) TTKMAPK1MAPK3AURKAAURKB
SCHEMBL1460661 0.78 ITK (0.55) TTKMAPK1PTPN2PTPN5MAPK3

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 18 patents. 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
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 CN claimed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 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 TTK 215/4885BRD4 265/4885MAPK1 396/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 TTK 223/4885BRD4 325/4885MAPK1 418/4885

“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.