SCHEMBL12536086

SCHEMBL12536086

[C-]#[N+]c1c(OC)nc(N)c(C#N)c1-c1ccc(OC[C@@H]2COC(C)(C)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ RXFP1 Q9HBX9 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADORA1 P30542 10/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 5/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ FFAR4 Q5NUL3 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
SCHEMBL1422880 0.89 KDM4E (0.51) KDM4ERXFP1ALDH1A1NPSR1MAPT
SCHEMBL12020317 0.86 MAPK14 (0.34) KDM4EALDH1A1GAAADORA1ADORA2A
SCHEMBL12020287 0.86 MAPK14 (0.34) KDM4EALDH1A1GAAADORA1ADORA2A
SCHEMBL12020307 0.86 MAPK14 (0.34) KDM4EALDH1A1GAAADORA1ADORA2A
SCHEMBL381709 0.82 ADORA2B (0.43) KDM4EALDH1A1NPSR1MAPTGAA
SCHEMBL3602017 0.82 ADORA2B (0.43) KDM4EALDH1A1NPSR1MAPTGAA
SCHEMBL252404 0.82 ADORA2B (0.43) KDM4EALDH1A1NPSR1MAPTGAA
SCHEMBL12535083 0.81 ADORA1 (0.34) KDM4ERXFP1ALDH1A1NPSR1MAPT
SCHEMBL12535075 0.80 MAPT (0.43) RXFP1NPSR1MAPTADORA1ADORA2A
SCHEMBL12534694 0.80 MAPT (0.43) RXFP1NPSR1MAPTADORA1ADORA2A

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 4 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-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-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING AKTIENGESELLSCHAFT (DE) 2011-06-09 — — US 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 KDM4E 2290/4885RXFP1 4123/4885ALDH1A1 747/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 KDM4E 2290/4885RXFP1 4123/4885ALDH1A1 747/4885

“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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