SCHEMBL1461035

SCHEMBL1461035

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(C#Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ BRD4 O60885 4/20 0.41
▸ AURKA O14965 6/20 0.41
▸ AURKB Q96GD4 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SGK1 O00141 2/20 0.39
▸ TTK P33981 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL4010109 0.87 ITK (0.44) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL1460552 0.82 MAPK1 (0.54) ITKPRKD3CLK4AURKAAURKB
SCHEMBL1460752 0.82 ROCK1 (0.58) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL1459711 0.82 ITK (0.49) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL4013164 0.81 ITK (0.46) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL27596506 0.81 BRD4 (0.47) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL4007743 0.81 ITK (0.46) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL1460532 0.81 BRD4 (0.50) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL4005787 0.81 ITK (0.46) ITKCHEK1PRKD3CDK8LIMK1
SCHEMBL1460739 0.80 CHEK1 (0.46) ITKCHEK1PRKD3CDK8LIMK1

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 13 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-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 222/4885CHEK1 42/4885PRKD3 88/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885CHEK1 66/4885PRKD3 46/4885

“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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