SCHEMBL4509727

SCHEMBL4509727

O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.53
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP1A2 P05177 5/20 0.41
NAMPT P43490 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL4509800 0.83 GSK3B (0.59) GSK3BCDK1CDK2CYP3A4CYP2D6
SCHEMBL16493501 0.83 GSK3B (0.51) GSK3BCDK1CDK2CDK7DYRK1A
SCHEMBL6206417 0.82 CHRNA7 (0.38) GSK3BCDK1CDK2DYRK1ANAMPT
SCHEMBL4492373 0.81 GSK3B (0.70) GSK3BCDK1CDK2CYP1A2
SCHEMBL1461214 0.79 CHRNA7 (0.36) GSK3BCDK1CDK2DYRK1ANAMPT
SCHEMBL4492707 0.78 GSK3B (0.69) GSK3BCDK1CDK2CYP1A2
SCHEMBL1461200 0.78 GSK3B (0.61) GSK3BCDK1CDK2CYP1A2
SCHEMBL4497559 0.78 GSK3B (0.74) GSK3BCDK1CDK2CYP1A2
SCHEMBL4500932 0.77 GSK3B (0.62) GSK3BCDK1CDK2CYP1A2
SCHEMBL4499482 0.76 GSK3B (0.75) GSK3BCDK1CDK2CYP1A2

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
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP claimed
CN-1678589-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2005-10-05 CN 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
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
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 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.