SCHEMBL2239557

SCHEMBL2239557

COc1ccnc(C#N)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 2/20 0.44
▸ USP7 Q93009 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAK O14976 2/20 0.39
▸ RIPK2 O43353 2/20 0.39
▸ COQ8A Q8NI60 2/20 0.39
▸ NLK Q9UBE8 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38

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
SCHEMBL2238931 0.83 PLCG1 (0.36) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL30527595 0.83 PLCG1 (0.36) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL31280272 0.81 GAA (0.38) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL29341106 0.81 GAA (0.38) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL16505226 0.79 MAPK1 (0.48) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL17416877 0.79 ALDH1A1 (0.42) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL17785308 0.79 ALDH1A1 (0.42) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL23218431 0.79 PLCG1 (0.36) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL2239641 0.79 L3MBTL1 (0.38) USP8USP7ALDH1A1HTTMAPK1
SCHEMBL30630762 0.79 PLCG1 (0.36) USP8USP7ALDH1A1HTTMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104083367-A Pantoprazole sodium special ultrafine powder lyophilized preparation and preparation method thereof HANGZHOU AUSIA BIOLOG TECHNOLOGY COMPANY LTD 2014-10-08 — — CN disclosed
US-8003799-B2 For agriculture BAYER SAS (FR) 2011-08-23 — — US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 — — US disclosed
EP-1244627-B1 PICOLINIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-09-20 — — EP disclosed
EP-1248771-B1 METHOD FOR PREPARING HYDROXYPICOLINIC ACID DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-05-03 — — EP disclosed
US-20060040995-A1 Method for preparing hydroxypicolinic scid derivatives AVENTIS CROPSCIENCE, S.A. (FR) 2006-02-23 — — US disclosed
US-20030191113-A1 Picolinic acid derivatives and their use as fungicides BAYER SAS (FR) 2003-10-09 — — US disclosed
CN-1411445-A Method for preparing 3-hydroxypicolinic acid derivatives AVENTIS CROPSCIENCE SA (FR) 2003-04-16 — — CN disclosed
CN-1394202-A Picolinic acid derivatives and their use as fungicides AVENTIS CROP SCIENCE S A (FR) 2003-01-29 — — CN disclosed
EP-1248771-A1 METHOD FOR PREPARING HYDROXYPICOLINIC ACID DERIVATIVES Bayer CropScience S.A. (FR) 2002-10-16 — — EP disclosed
EP-1244627-A1 PICOLINIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2002-10-02 — — EP disclosed
WO-2001049666-A1 PICOLINIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-07-12 — — WO disclosed
WO-2001049667-A1 METHOD FOR PREPARING HYDROXYPICOLINIC ACID DERIVATIVES AVENTIS CROPSCIENCE S.A. (FR) 2001-07-12 — — 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 (2 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-20060040995-A1 Method for preparing hydroxypicolinic scid derivatives CYP2F1, CYP21A2, CYP26B1 USP8 3392/4885USP7 1468/4885ALDH1A1 331/4885
US-20030191113-A1 Picolinic acid derivatives and their use as fungicides PTPRG, CNPY2, CYP4X1 USP8 4209/4885USP7 3525/4885ALDH1A1 1379/4885

“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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