SCHEMBL1460949

SCHEMBL1460949

COc1ccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4S(C)(=O)=O)cc23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.48
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ ITK Q08881 4/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ CYP17A1 P05093 3/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TTK P33981 1/20 0.42

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
SCHEMBL1460748 0.90 BRD4 (0.53) BRD4AURKAAURKBITKNTRK1
SCHEMBL1460754 0.87 ITK (0.52) BRD4TP53POLBAURKAAURKB
SCHEMBL1460671 0.87 BRD4 (0.48) BRD4TP53POLBAURKAAURKB
SCHEMBL1460704 0.85 ITK (0.53) BRD4AURKAAURKBITKNTRK1
SCHEMBL1459730 0.85 BRD4 (0.55) BRD4TP53ITKPKMALPL
SCHEMBL1460639 0.83 BRD4 (0.50) BRD4AURKAAURKBITKNTRK1
SCHEMBL1460968 0.83 ITK (0.60) ITK
SCHEMBL1460595 0.82 ITK (0.48) BRD4AURKAAURKBITKNTRK1
SCHEMBL1461114 0.82 NTRK1 (0.45) BRD4POLBAURKAAURKBITK
SCHEMBL1461707 0.81 ITK (0.52) BRD4AURKAAURKBITKNTRK1

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 BRD4 265/4885TP53 234/4885POLB 1912/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 BRD4 325/4885TP53 294/4885POLB 1915/4885

“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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