SCHEMBL2339907

SCHEMBL2339907

O=C(Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.60
CDK1 P06493 1/20 0.60
CDK2 P24941 1/20 0.60
EPHX2 P34913 13/20 0.45
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 3/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4503321 0.82 GSK3B (0.66) GSK3BCDK1CDK2EPHX2MAPK1
SCHEMBL2339971 0.81 GSK3B (0.70) GSK3BCDK1CDK2MAPK1RAB9A
SCHEMBL4380218 0.81 GSK3B (0.70) GSK3BCDK1CDK2MAPK1RAB9A
SCHEMBL2361722 0.79 GSK3B (0.62) GSK3BCDK1CDK2EPHX2TSHR
SCHEMBL2331113 0.79 GSK3B (0.73) GSK3BCDK1CDK2MAPK1
SCHEMBL4393025 0.79 GSK3B (0.67) GSK3BCDK1CDK2MAPK1RAB9A
SCHEMBL4384920 0.79 GSK3B (0.67) GSK3BCDK1CDK2CNR1
SCHEMBL2335118 0.79 GSK3B (0.67) GSK3BCDK1CDK2MAPK1CNR1
SCHEMBL2361748 0.78 GSK3B (0.63) GSK3BCDK1CDK2MAPK1
SCHEMBL4392791 0.77 GSK3B (0.76) GSK3BCDK1CDK2MAPK1

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
EP-1572200-B1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-08-17 EP claimed
US-7629374-B2 Use of aminoindazole derivatives for the inhibition of tau phosphorylation AVENTIS PHARMA SA (FR) 2009-12-08 US claimed
US-20080261997-A1 USE OF AMINOINDAZOLE DERIVATIVES FOR THE INHIBITION OF TAU PHOSPHORYLATION AVENTIS PHARMA S.A. (FR) 2008-10-23 US claimed
US-7019011-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2006-03-28 US claimed
US-20040132794-A1 Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2004-07-08 US claimed
US-7629374-B2 Use of aminoindazole derivatives for the inhibition of tau phosphorylation AVENTIS PHARMA SA (FR) 2009-12-08 US disclosed
US-20080261997-A1 USE OF AMINOINDAZOLE DERIVATIVES FOR THE INHIBITION OF TAU PHOSPHORYLATION AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
US-7407981-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2008-08-05 US disclosed
US-20070155735-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AVENTIS PHARMA S.A. (FR) 2007-07-05 US disclosed
US-7196109-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2007-03-27 US disclosed
US-20060074122-A1 Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2006-04-06 US disclosed
US-7019011-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2006-03-28 US disclosed
US-20040132794-A1 Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2004-07-08 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 (4 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-20080261997-A1 USE OF AMINOINDAZOLE DERIVATIVES FOR THE INHIBITION OF TAU PHOSPHORYLATION OXSR1, CBR1, OXER1 GSK3B 159/4885CDK1 63/4885CDK2 549/4885
US-20040132794-A1 Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them SIGMAR1, CYP2C8, CNR1 GSK3B 3595/4885CDK1 2123/4885CDK2 2237/4885
US-20070155735-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM CNR1, SUCNR1, CBR1 GSK3B 3542/4885CDK1 1006/4885CDK2 1855/4885
US-20060074122-A1 Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them CNR1, SUCNR1, CBR1 GSK3B 3542/4885CDK1 1006/4885CDK2 1855/4885

“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.