SCHEMBL4010109

SCHEMBL4010109

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.44
▸ BRD4 O60885 3/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ SGK1 O00141 4/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ SLC22A12 Q96S37 6/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AURKA O14965 1/20 0.40

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
SCHEMBL1461035 0.87 ITK (0.43) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL1461031 0.85 LRRK2 (0.54) ITKSGK1NTRK1AURKA
SCHEMBL1459711 0.83 ITK (0.49) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL1460752 0.83 ROCK1 (0.58) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL1460555 0.83 LRRK2 (0.53) ITKBRD4SGK1AURKA
SCHEMBL27596506 0.82 BRD4 (0.47) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL4005787 0.82 ITK (0.46) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL1460532 0.82 BRD4 (0.50) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL4007743 0.82 ITK (0.46) ITKBRD4CHEK1PRKD3CDK8
SCHEMBL4013164 0.82 ITK (0.46) ITKBRD4CHEK1PRKD3CDK8

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 10 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
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 222/4885BRD4 265/4885CHEK1 42/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885BRD4 325/4885CHEK1 66/4885

“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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