SCHEMBL4426727

SCHEMBL4426727

COCCOc1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccccc4)n3)c2C#N)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.82
SLC6A3 Q01959 1/20 0.73

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
SCHEMBL14464879 0.93 ADORA1 (0.84) ADORA1SLC6A3
SCHEMBL4428648 0.90 ADORA1 (0.85) ADORA1SLC6A3
SCHEMBL4432630 0.90 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL4428654 0.89 ADORA1 (0.67) ADORA1SLC6A3
SCHEMBL4427010 0.89 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL13929511 0.88 ADORA1 (0.70) ADORA1SLC6A3
SCHEMBL4435702 0.88 ADORA1 (0.67) ADORA1SLC6A3
SCHEMBL4427399 0.88 ADORA1 (0.67) ADORA1SLC6A3
SCHEMBL13929774 0.86 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL13929983 0.86 ADORA1 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455785-B1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME BAYER HEALTHCARE AG (DE) 2009-03-04 EP disclosed
WO-2007073855-A1 USE OF ADENOSINE A1 RECEPTOR AGONISTS FOR THE PROTECTION OF RENAL CELLS AGAINST TOXIC EFFECTS CAUSED BY AMINOGLYCOSIDES DURING TREATMENT OF INFECTIOUS DISEASES BAYER HEALTHCARE AG (DE) 2007-07-05 WO disclosed
US-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2006-09-28 US disclosed
US-7109218-B2 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2006-09-19 US disclosed
US-20050227972-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2005-10-13 US disclosed
EP-1455785-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME Bayer HealthCare AG (DE) 2004-09-15 EP disclosed
WO-2003053441-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050227972-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same TPMT, QDPR, TUBB6 ADORA1 998/4885SLC6A3 215/4885
US-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same TPMT, QDPR, TUBB6 ADORA1 998/4885SLC6A3 215/4885

“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.