SCHEMBL1461802

SCHEMBL1461802

O=S(=O)(Nc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.55
PTPN2 P17706 2/20 0.54
PTPN1 P18031 2/20 0.54
PTPN5 P54829 2/20 0.54
CYP2C9 P11712 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
SLC22A8 Q8TCC7 2/20 0.50
SLC22A11 Q9NSA0 2/20 0.50
ITK Q08881 1/20 0.50
TTK P33981 1/20 0.50
CYP3A4 P08684 1/20 0.49
AURKA O14965 3/20 0.48
AURKB Q96GD4 2/20 0.48
BRD4 O60885 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
SCHEMBL1460534 0.85 ITK (0.66) PTPN2PTPN1PTPN5ITKTTK
SCHEMBL1460632 0.84 SLC22A12 (0.51) SLC22A12ITKTTKAURKAAURKB
SCHEMBL1460552 0.83 MAPK1 (0.54) ITKTTKAURKAAURKB
SCHEMBL1460661 0.83 ITK (0.55) PTPN2PTPN1PTPN5CYP2C9ITK
SCHEMBL1461110 0.83 TTK (0.55) PTPN2PTPN1PTPN5ITKTTK
SCHEMBL1461033 0.82 TTK (0.54) PTPN2PTPN1PTPN5ITKTTK
SCHEMBL1460772 0.81 MAPK1 (0.50) ITKTTKAURKA
SCHEMBL1460842 0.81 MAPK1 (0.52) ITKTTKAURKAAURKB
SCHEMBL1461030 0.81 AURKA (0.67) ITKTTKAURKAAURKBBRD4
SCHEMBL1460844 0.81 MAP2K4 (0.60) PTPN2PTPN1PTPN5ITKTTK

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 SLC22A12 4710/4885PTPN2 1320/4885PTPN1 1368/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 SLC22A12 4741/4885PTPN2 1373/4885PTPN1 1525/4885

“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.