SCHEMBL6488062

SCHEMBL6488062

O=C(Nc1n[nH]c2cc(Cl)ccc12)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
MAPK1 P28482 1/20 0.48
KDR P35968 1/20 0.46
PAK4 O96013 1/20 0.46
MAPK10 P53779 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
MAPK8 P45983 2/20 0.45
ALPL P05186 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL6485330 0.84 GSK3B (0.53) GSK3BPAK4MAPK10HDAC6MAPK8
SCHEMBL1461500 0.83 GSK3B (0.61) GSK3BMAPK1MAPTHDAC1HDAC2
SCHEMBL1460219 0.75 GSK3B (0.71) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL1460321 0.74 GSK3B (0.65) GSK3BHDAC1HDAC2HDAC8
SCHEMBL16675965 0.74 GSK3B (0.47) GSK3BMAPK1KDRMAPK10HDAC6
SCHEMBL1461452 0.73 HDAC6 (0.75) GSK3BHDAC6
SCHEMBL1461244 0.73 GSK3B (0.76) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL1461322 0.73 GSK3B (0.63) GSK3BHDAC1HDAC2HDAC8
SCHEMBL1461497 0.72 GSK3B (0.62) GSK3BMAPK10HDAC6MAPK8HDAC1
SCHEMBL1461360 0.72 GSK3B (0.65) GSK3BKDRKDM4EHDAC1HDAC2

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 10 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-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
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 2342/4885MAPK1 3184/4885KDR 995/4885

“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.