SCHEMBL5017601

SCHEMBL5017601

Cc1ccc(-c2nc(NC(=O)Cc3cccnc3)cc(-c3ccccn3)n2)o1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.52
ADORA1 P30542 8/20 0.49
MKNK1 Q9BUB5 1/20 0.45
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL5024997 0.86 ADORA2A (0.53) ADORA2AADORA1MKNK1WNT1GSK3B
SCHEMBL5016080 0.85 ADORA2A (0.53) ADORA2AADORA1MKNK1WNT1GSK3B
SCHEMBL8287558 0.85 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL5022961 0.84 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL4962442 0.83 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL5022903 0.82 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL5022422 0.82 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL5026352 0.81 ADORA2A (0.43) ADORA2AADORA1MKNK1WNT1GSK3B
SCHEMBL5022258 0.81 POLB (0.43) ADORA2AADORA1MKNK1
SCHEMBL5026311 0.80 ADORA2A (0.61) ADORA2AADORA1MKNK1WNT1GSK3B

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 3/4885MKNK1 3055/4885

“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.