SCHEMBL7972583

SCHEMBL7972583

N#Cc1c(OCCO)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.84
SLC6A3 Q01959 1/20 0.84

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
SCHEMBL1423381 0.97 ADORA1 (0.80) ADORA1SLC6A3
SCHEMBL1932675 0.95 ADORA1 (0.79) ADORA1SLC6A3
SCHEMBL1423280 0.94 ADORA1 (0.80) ADORA1SLC6A3
SCHEMBL1932259 0.93 ADORA1 (0.75) ADORA1SLC6A3
SCHEMBL1932981 0.92 ADORA1 (0.85) ADORA1SLC6A3
SCHEMBL20211460 0.92 ADORA1 (0.85) ADORA1SLC6A3
Capadenoson SCHEMBL174016 0.91 ADORA1 (1.00) ADORA1SLC6A3
SCHEMBL7974116 0.90 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL12536113 0.90 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL1932764 0.90 ADORA1 (0.68) ADORA1SLC6A3

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 6 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
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
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 2080/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 ADORA1 2520/4885SLC6A3 2080/4885

“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.