SCHEMBL4498891

SCHEMBL4498891

COc1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.57
CDC7 O00311 2/20 0.56
PRKAB2 O43741 3/20 0.55
PRKAG1 P54619 3/20 0.55
PRKAA2 P54646 3/20 0.55
PRKAA1 Q13131 3/20 0.55
PRKAG3 Q9UGI9 3/20 0.55
PRKAG2 Q9UGJ0 3/20 0.55
PRKAB1 Q9Y478 3/20 0.55
GSK3B P49841 5/20 0.55
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
FGFR1 P11362 1/20 0.49
MAPK10 P53779 2/20 0.48
MAPK8 P45983 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
LMNA P02545 1/20 0.47
APP P05067 1/20 0.45
TP53 P04637 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
SCHEMBL4495395 0.92 GSK3B (0.52) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4492720 0.89 GSK3B (0.53) CDC7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6207631 0.89 MAP2K4 (0.49) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4492484 0.89 GSK3B (0.58) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4498618 0.89 GSK3B (0.61) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
Water SCHEMBL1461210 0.88 CDC7 (0.48) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4497927 0.88 GSK3B (0.57) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4502817 0.86 MAPK8 (0.51) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4495389 0.85 MAP2K4 (0.60) MAP2K4CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4491361 0.85 GSK3B (0.55) MAP2K4CDC7PRKAB2PRKAG1PRKAA2

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 MAP2K4 4737/4885CDC7 2626/4885PRKAB2 4662/4885
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 MAP2K4 2747/4885CDC7 1312/4885PRKAB2 3630/4885

“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.