SCHEMBL5026311

SCHEMBL5026311

O=C(Cc1cccnc1)Nc1cc(-c2ccccn2)nc(-c2nccs2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.61
ADORA1 P30542 6/20 0.51
MAPK8 P45983 1/20 0.47
WNT3A P56704 2/20 0.44
CDK9 P50750 1/20 0.42
GLS O94925 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5022756 0.93 ADORA2A (0.71) ADORA2AADORA1MAPK8CDK9CYP3A4
SCHEMBL5022365 0.91 ADORA2A (0.59) ADORA2AADORA1MAPK8CDK9GLS
SCHEMBL5024997 0.89 ADORA2A (0.53) ADORA2AADORA1WNT3ACDK9GLS
SCHEMBL5016157 0.87 ADORA2A (0.61) ADORA2AADORA1MAPK8WNT3ACDK9
SCHEMBL6038247 0.87 ADORA2A (0.53) ADORA2AADORA1MAPK8CDK9GLS
SCHEMBL5022900 0.84 ADORA2A (0.54) ADORA2AADORA1MAPK8WNT3AGLS
SCHEMBL5017652 0.83 ADORA2A (0.54) ADORA2AADORA1MAPK8GLS
SCHEMBL5017803 0.82 ADORA2A (0.58) ADORA2AADORA1CYP3A4
SCHEMBL5026352 0.82 ADORA2A (0.43) ADORA2AADORA1WNT3ACDK9GLS
SCHEMBL5016080 0.82 ADORA2A (0.53) ADORA2AADORA1WNT3ACDK9MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 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 (1 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885MAPK8 3641/4885

“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.