SCHEMBL4496233

SCHEMBL4496233

COc1ccc(S(=O)(=O)Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 5/20 0.65
PRKAG1 P54619 5/20 0.65
PRKAA2 P54646 5/20 0.65
PRKAA1 Q13131 5/20 0.65
PRKAG3 Q9UGI9 5/20 0.65
PRKAG2 Q9UGJ0 5/20 0.65
PRKAB1 Q9Y478 5/20 0.65
GSK3B P49841 3/20 0.53
CDK1 P06493 1/20 0.53
CDK2 P24941 1/20 0.53
CKS1B P61024 1/20 0.49
SKP2 Q13309 1/20 0.49
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
SQSTM1 Q13501 1/20 0.46
MAP2K4 P45985 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45

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
SCHEMBL1461997 0.90 PRKAB2 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4502136 0.89 GSK3B (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4496851 0.89 GSK3B (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4493589 0.86 GSK3B (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4492488 0.86 GSK3B (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4497721 0.84 GSK3B (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4500606 0.83 GSK3B (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4498877 0.82 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4497832 0.81 GSK3B (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1378226 0.81 GSK3B (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP claimed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US claimed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 US claimed
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP disclosed
US-7582669-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2009-09-01 US disclosed
US-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 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-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SUCNR1, CNR1, SIGMAR1 PRKAB2 4662/4885PRKAG1 4551/4885PRKAA2 3581/4885
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia OXSR1, OXER1, OXGR1 PRKAB2 3630/4885PRKAG1 3223/4885PRKAA2 1905/4885

“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.