SCHEMBL4005397

SCHEMBL4005397

COc1ccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4C)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.55
▸ AURKA O14965 2/20 0.52
▸ AURKB Q96GD4 2/20 0.52
▸ LRRK2 Q5S007 1/20 0.49
▸ MAP2K4 P45985 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BRD4 O60885 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TTK P33981 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL1460754 0.90 ITK (0.52) ITKAURKAAURKBLRRK2MAP2K4
SCHEMBL1460661 0.89 ITK (0.55) ITKAURKAAURKBMAPK1ALDH1A1
SCHEMBL4013401 0.87 MAPT (0.60) ITKAURKAAURKBMAP2K4KIT
SCHEMBL1460566 0.86 AURKA (0.64) ITKAURKAAURKBMAP2K4KIT
SCHEMBL1461656 0.84 AURKA (0.69) ITKAURKAAURKBMAP2K4MAPT
SCHEMBL1460685 0.82 TP53 (0.61) AURKAAURKBALDH1A1LMNAHPGD
SCHEMBL1461786 0.80 MAPK1 (0.47) ITKAURKAAURKBMAPK1LMNA
SCHEMBL1461810 0.80 ITK (0.57) ITKAURKAAURKBLRRK2MAP2K4
SCHEMBL1461100 0.80 TTK (0.56) ITKAURKAAURKBMAPK1ALDH1A1
SCHEMBL1460704 0.80 ITK (0.53) ITKAURKAAURKBLRRK2MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITK 222/4885AURKA 17/4885AURKB 33/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885AURKA 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.

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