SCHEMBL1461282

SCHEMBL1461282

CC(C)CNc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.54
▸ TRPA1 O75762 3/20 0.50
▸ MAPK1 P28482 2/20 0.44
▸ MAP2K4 P45985 4/20 0.44
▸ TTK P33981 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MAT2A P31153 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ FADS1 O60427 2/20 0.40

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
SCHEMBL11697585 0.74 TRPA1 (0.57) GSK3BTRPA1MAP2K4MAT2AFADS1
SCHEMBL1461281 0.74 GSK3B (0.66) GSK3BTRPA1MAPK1MAP2K4
SCHEMBL3191859 0.74 GSK3B (0.45) GSK3BTRPA1MAPK1MAP2K4MAP4K4
SCHEMBL10368027 0.73 GSK3B (0.51) GSK3BTRPA1
SCHEMBL3155790 0.72 CHEK1 (0.50) GSK3BTRPA1MAP2K4
SCHEMBL1460219 0.72 GSK3B (0.71) GSK3BTRPA1MAP2K4
SCHEMBL6491225 0.71 GSK3B (0.82) GSK3B
SCHEMBL27623438 0.71 GSK3B (0.68) GSK3B
SCHEMBL16675892 0.71 GSK3B (0.44) GSK3BTRPA1MAP2K4MAT2A
SCHEMBL7254798 0.71 ESR1 (0.49) MAP4K4CNR1CNR2

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 2342/4885TRPA1 2652/4885MAPK1 3184/4885

“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.

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