SCHEMBL4014552

SCHEMBL4014552

Cc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4S(C)(=O)=O)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.56
ITK Q08881 5/20 0.55
AURKA O14965 8/20 0.51
AURKB Q96GD4 6/20 0.51
LRRK2 Q5S007 1/20 0.48
MAP2K4 P45985 1/20 0.47
MAPK1 P28482 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
SCHEMBL1461099 0.91 ITK (0.55) TTKITKAURKAAURKBMAPK1
SCHEMBL1460552 0.90 MAPK1 (0.54) TTKITKAURKAAURKBMAPK1
SCHEMBL6297928 0.89 TTK (0.59) TTKITKAURKAAURKBMAP2K4
SCHEMBL1461810 0.89 ITK (0.57) TTKITKAURKAAURKBLRRK2
SCHEMBL1459746 0.88 AURKA (0.50) TTKITKAURKAAURKBMAP2K4
SCHEMBL1461791 0.88 TTK (0.53) TTKITKAURKAAURKBMAP2K4
SCHEMBL1460705 0.88 AURKA (0.50) TTKITKAURKAAURKBMAP2K4
SCHEMBL1459783 0.88 MAP2K4 (0.55) TTKITKAURKAAURKBMAP2K4
SCHEMBL1460608 0.88 AURKA (0.52) TTKITKAURKAAURKBMAPK1
SCHEMBL1460842 0.88 MAPK1 (0.52) TTKITKAURKAAURKBMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US 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
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US 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 215/4885ITK 222/4885AURKA 17/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 TTK 223/4885ITK 266/4885AURKA 65/4885

“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.