SCHEMBL1933429

SCHEMBL1933429

COc1nc(OCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PPARA Q07869 6/20 0.39
▸ PPARG P37231 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.39
▸ ELAVL1 Q15717 1/20 0.38
▸ PRF1 P14222 1/20 0.37

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
SCHEMBL383022 0.91 ADORA1 (0.46) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL12536119 0.91 ADORA1 (0.38) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL382471 0.90 ADORA1 (0.51) ADORA1SLC6A3PPARGMAPTNPSR1
SCHEMBL1933364 0.86 ADORA1 (0.56) ADORA1SLC6A3MAPTNPSR1RXFP1
SCHEMBL1932589 0.86 ADORA1 (0.41) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL382955 0.85 PPARA (0.42) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL12535121 0.84 ADORA1 (0.41) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL1931047 0.83 ADORA1 (0.43) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL12535500 0.83 ADORA1 (0.43) ADORA1SLC6A3PPARAPPARGMAPT
SCHEMBL12535546 0.81 ADORA1 (0.37) ADORA1SLC6A3PPARAPPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9205077-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 — — US disclosed
US-9205077-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 — — US disclosed
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 — — US disclosed
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 — — US disclosed
US-8791146-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 — — US disclosed
US-8791146-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 — — US disclosed
EP-2297104-B1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-08-07 — — EP disclosed
EP-2297104-B1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-08-07 — — EP disclosed
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING AKTIENGESELLSCHAFT (DE) 2011-06-09 — — US disclosed
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING AKTIENGESELLSCHAFT (DE) 2011-06-09 — — US disclosed
WO-2009143992-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-03 — — 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-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 ADORA1 2520/4885SLC6A3 2080/4885PPARA 657/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 ADORA1 2520/4885SLC6A3 2080/4885PPARA 657/4885

“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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