SCHEMBL2239641

SCHEMBL2239641

COc1c(Cl)ccnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ USP8 P40818 1/20 0.34
▸ USP7 Q93009 1/20 0.34

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
SCHEMBL2239557 0.79 USP8 (0.44) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL31280272 0.79 GAA (0.38) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL29341106 0.79 GAA (0.38) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL30630762 0.78 PLCG1 (0.36) L3MBTL1MAPK1KMT2AALDH1A1KDM4E
SCHEMBL2238931 0.78 PLCG1 (0.36) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL23218431 0.78 PLCG1 (0.36) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL30527595 0.78 PLCG1 (0.36) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL29852563 0.78 PLCG1 (0.36) L3MBTL1MAPK1MAPTKMT2AALDH1A1
SCHEMBL29539340 0.78 PLA2G2A (0.37) MAPK1ALDH1A1KDM4EPLCG1USP8
SCHEMBL2671146 0.75 ALDH1A1 (0.40) L3MBTL1MAPK1MAPTKMT2AALDH1A1

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
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
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 L3MBTL1 4066/4885MAPK1 4340/4885MAPT 4871/4885
US-20030191113-A1 Picolinic acid derivatives and their use as fungicides PTPRG, CNPY2, CYP4X1 L3MBTL1 3632/4885MAPK1 2821/4885MAPT 2221/4885

“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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