SCHEMBL1461697

SCHEMBL1461697

CCCC(=O)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.82
CDK2 P24941 5/20 0.82
CDK1 P06493 4/20 0.82
GSK3A P49840 6/20 0.58
CYP1A2 P05177 2/20 0.55
CDK5 Q00535 3/20 0.54
DYRK1A Q13627 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
FLT4 P35916 2/20 0.54
MAPK8 P45983 2/20 0.54
CLK2 P49760 2/20 0.54
TAOK1 Q7L7X3 2/20 0.54
SLK Q9H2G2 2/20 0.54
MAP4K4 O95819 2/20 0.54
PLK4 O00444 1/20 0.54
MAPK13 O15264 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
PIM1 P11309 1/20 0.54
MARK3 P27448 1/20 0.54

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
SCHEMBL4381668 0.86 GSK3B (0.60) GSK3BCDK2CDK1GSK3APRKAA1
SCHEMBL2332408 0.84 GSK3B (0.60) GSK3BCDK2CDK1GSK3ACYP1A2
SCHEMBL4392816 0.81 GSK3B (0.61) GSK3BCDK2CDK1GSK3ACDK5
SCHEMBL1461843 0.81 GSK3B (1.00) GSK3BCDK2CDK1GSK3ACYP1A2
SCHEMBL1461503 0.80 GSK3B (0.59) GSK3BCDK2CDK1GSK3ACYP1A2
SCHEMBL2333341 0.78 GSK3B (0.53) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL1461347 0.77 GSK3B (1.00) GSK3BCDK2CDK1GSK3ACYP1A2
SCHEMBL1377235 0.77 GSK3B (0.52) GSK3BCDK2CDK1GSK3A
SCHEMBL1377394 0.77 GSK3B (0.58) GSK3BCDK2CDK1GSK3ACYP1A2
SCHEMBL4392791 0.77 GSK3B (0.76) GSK3BCDK2CDK1GSK3ACYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP claimed
JP-4648630-B2 2011-03-09 JP claimed
JP-2005530711-A 2005-10-13 JP claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 WO claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 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 (1 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 GSK3B 2342/4885CDK2 1677/4885CDK1 2364/4885

“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.