SCHEMBL6490355

SCHEMBL6490355

O=C(O)CCC(=O)Nc1n[nH]c2ccc(Br)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.63
GSK3A P49840 2/20 0.56
DYRK1A Q13627 4/20 0.51
CYP1A2 P05177 1/20 0.51
CDK2 P24941 4/20 0.47
CDK1 P06493 2/20 0.47
TSHR P16473 1/20 0.47
CDK4 P11802 1/20 0.47
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL7257078 0.88 GSK3B (0.81) GSK3BGSK3ADYRK1ACYP1A2CDK2
SCHEMBL6490286 0.77 GSK3B (1.00) GSK3BDYRK1ACYP1A2
SCHEMBL31061530 0.77 GSK3B (1.00) GSK3BDYRK1ACYP1A2
SCHEMBL15484549 0.76 DYRK1A (0.51) GSK3BGSK3ADYRK1ACDK2PRKD3
SCHEMBL1461358 0.76 GSK3B (1.00) GSK3BHDAC1HDAC2HDAC8
SCHEMBL6487186 0.76 DYRK1A (0.51) GSK3BGSK3ADYRK1ACDK2PRKD3
SCHEMBL6487193 0.76 DYRK1A (0.51) GSK3BGSK3ADYRK1ACDK2PRKD3
SCHEMBL6855281 0.76 DYRK1A (0.67) GSK3BGSK3ADYRK1ACDK2CDK1
SCHEMBL17179223 0.74 DYRK1A (0.51) GSK3BDYRK1ACYP1A2
SCHEMBL1461212 0.73 GSK3B (0.80) GSK3BCYP1A2MAPKAPK5HDAC1HDAC2

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 5 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
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 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 (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 2342/4885GSK3A 2830/4885DYRK1A 1638/4885

“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.