SCHEMBL1461071

SCHEMBL1461071

Clc1cc2[nH]nc(NCCN3CCCCC3)c2cc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
ACHE P22303 2/20 0.47
CDC7 O00311 1/20 0.47
ACP1 P24666 3/20 0.45
SMARCA2 P51531 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TOP2A P11388 1/20 0.44
KAT2B Q92831 1/20 0.42
CYP1A2 P05177 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
SCHEMBL4497515 0.90 CDC7 (0.58) GSK3BCDK1CDK2ACHECDC7
SCHEMBL4494753 0.84 GSK3B (0.64) GSK3BCDK1CDK2MEN1POLB
SCHEMBL1460776 0.81 GSK3B (0.68) GSK3BCDK1CDK2CDC7CYP1A2
SCHEMBL1377239 0.81 GSK3B (0.54) GSK3BCDK1CDK2ACHECDC7
SCHEMBL1460822 0.80 GSK3B (0.57) GSK3BCDK1CDK2CYP1A2
SCHEMBL1461054 0.79 GSK3B (0.65) GSK3BCDK1CDK2CDC7ACP1
SCHEMBL4500932 0.79 GSK3B (0.62) GSK3BCDK1CDK2CYP1A2
SCHEMBL1462026 0.78 CDC7 (0.54) GSK3BCDK1CDK2ACHECDC7
SCHEMBL4498618 0.78 GSK3B (0.61) GSK3BCDK1CDK2CDC7CYP1A2
SCHEMBL1460805 0.78 GSK3B (0.55) GSK3BCDK1CDK2CDC7CYP1A2

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 16 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
JP-4648703-B2 2011-03-09 JP claimed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US claimed
JP-2006503824-A 2006-02-02 JP claimed
CN-1678589-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2005-10-05 CN claimed
EP-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP 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
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 WO claimed
US-7582669-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2009-09-01 US disclosed
CN-1982316-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2007-06-20 CN 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
CN-1678589-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2005-10-05 CN disclosed
EP-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP 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
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 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-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SUCNR1, CNR1, SIGMAR1 GSK3B 3594/4885CDK1 1614/4885CDK2 2075/4885
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 GSK3B 464/4885CDK1 380/4885CDK2 709/4885

“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.