SCHEMBL1460739

SCHEMBL1460739

CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(Nc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ GRM4 Q14833 3/20 0.45
▸ AURKA O14965 5/20 0.44
▸ ITK Q08881 2/20 0.44
▸ ULK1 O75385 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ FADS1 O60427 2/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ AURKB Q96GD4 3/20 0.41
▸ TTK P33981 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1461718 0.88 ITK (0.46) CHEK1PRKD3CDK8LIMK1ROCK1
SCHEMBL1461653 0.86 HAO1 (0.47) CLK4GRM4AURKAITKBRD4
SCHEMBL1460742 0.84 AURKA (0.53) LIMK1CLK4AURKAITKBRD4
SCHEMBL1460525 0.84 LRRK2 (0.53) CHEK1PRKD3ROCK1AURKAITK
SCHEMBL1460552 0.84 MAPK1 (0.54) PRKD3CLK4AURKAITKAURKB
SCHEMBL1460752 0.83 ROCK1 (0.58) CHEK1PRKD3CDK8LIMK1ROCK1
SCHEMBL1459711 0.83 ITK (0.49) CHEK1PRKD3CDK8LIMK1ROCK1
SCHEMBL4007743 0.82 ITK (0.46) CHEK1PRKD3CDK8LIMK1ROCK1
SCHEMBL1460532 0.82 BRD4 (0.50) CHEK1PRKD3CDK8LIMK1ROCK1
SCHEMBL27596506 0.82 BRD4 (0.47) CHEK1PRKD3CDK8LIMK1ROCK1

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 CHEK1 42/4885PRKD3 88/4885CDK8 56/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CHEK1 66/4885PRKD3 46/4885CDK8 80/4885

“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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