SCHEMBL4008311

SCHEMBL4008311

O=C(O)c1cccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.62
▸ AURKB Q96GD4 8/20 0.62
▸ MAPT P10636 1/20 0.62
▸ PFKFB3 Q16875 1/20 0.59
▸ AKR1C3 P42330 1/20 0.58
▸ TTK P33981 3/20 0.57
▸ MAP2K4 P45985 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ MAPKAPK3 Q16644 1/20 0.55
▸ MAPK6 Q16659 1/20 0.55
▸ MAP2K7 O14733 1/20 0.53
▸ ITK Q08881 1/20 0.52

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
SCHEMBL1460621 0.88 TTK (0.65) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1461030 0.87 AURKA (0.67) AURKAAURKBTTKMAP2K4MAPK1
SCHEMBL5392302 0.87 AURKA (0.68) AURKAAURKBPFKFB3TTKMAP2K4
SCHEMBL1460692 0.84 MAP2K4 (0.66) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1461050 0.84 ITK (0.65) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1460662 0.84 PGR (0.62) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1460731 0.84 AURKA (0.59) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1459755 0.84 TTK (0.62) AURKAAURKBTTKMAP2K4MAP2K7
SCHEMBL1461664 0.83 MAP2K4 (0.56) AURKAAURKBTTKMAP2K4MAPK1
SCHEMBL1461764 0.82 AURKA (0.61) AURKAAURKBTTKMAP2K4MAPK1

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 AURKA 17/4885AURKB 33/4885MAPT 2426/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 AURKA 65/4885AURKB 67/4885MAPT 3070/4885

“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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