SCHEMBL6478328

SCHEMBL6478328

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.61
AURKA O14965 1/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.44
DYRK1A Q13627 1/20 0.44
MDM2 Q00987 1/20 0.44
MAP2K4 P45985 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSK P43235 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL15484405 1.00 GSK3B (0.61) GSK3BAURKAMAPTALDH1A1LMNA
SCHEMBL6478329 1.00 GSK3B (0.61) GSK3BAURKAMAPTALDH1A1LMNA
SCHEMBL15484433 0.82 GSK3B (0.63) GSK3BDYRK1AMAP2K4HDAC1HDAC2
SCHEMBL1461615 0.82 GSK3B (0.62) GSK3BAURKADYRK1AMAP2K4HDAC1
SCHEMBL6485795 0.82 GSK3B (0.63) GSK3BDYRK1AMAP2K4HDAC1HDAC2
SCHEMBL6485798 0.82 GSK3B (0.63) GSK3BDYRK1AMAP2K4HDAC1HDAC2
SCHEMBL1461613 0.82 GSK3B (0.62) GSK3BAURKADYRK1AMAP2K4HDAC1
SCHEMBL15484454 0.82 GSK3B (0.62) GSK3BAURKADYRK1AMAP2K4HDAC1
SCHEMBL6491225 0.77 GSK3B (0.82) GSK3BHDAC1HDAC2HDAC8
SCHEMBL1462458 0.77 GSK3B (0.62) GSK3BDYRK1AMAP2K4HDAC1HDAC2

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 3 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 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 2342/4885AURKA 3296/4885MAPT 4462/4885

“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.