SCHEMBL1461613

SCHEMBL1461613

O=C(O)/C=C/C(=O)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.62
HDAC6 Q9UBN7 4/20 0.48
MAP2K4 P45985 2/20 0.47
TRPA1 O75762 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
AURKA O14965 1/20 0.46
DYRK1A Q13627 4/20 0.45
GSK3A P49840 1/20 0.43

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
SCHEMBL15484454 1.00 GSK3B (0.62) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL1461615 1.00 GSK3B (0.62) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL6485798 0.87 GSK3B (0.63) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL6485795 0.87 GSK3B (0.63) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL15484433 0.87 GSK3B (0.63) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL1462458 0.84 GSK3B (0.62) GSK3BHDAC6MAP2K4TRPA1HDAC1
SCHEMBL6478328 0.82 GSK3B (0.61) GSK3BHDAC6MAP2K4HDAC1HDAC2
SCHEMBL15484405 0.82 GSK3B (0.61) GSK3BHDAC6MAP2K4HDAC1HDAC2
SCHEMBL6478329 0.82 GSK3B (0.61) GSK3BHDAC6MAP2K4HDAC1HDAC2
SCHEMBL1460219 0.79 GSK3B (0.71) GSK3BHDAC6MAP2K4TRPA1HDAC1

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 2342/4885HDAC6 1699/4885MAP2K4 4219/4885

“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.