SCHEMBL5016148

SCHEMBL5016148

Cc1ccc(-c2nc(NC(=O)CN(C)C)cc(-c3nccs3)n2)o1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.71
ADORA1 P30542 16/20 0.71
KCNH2 Q12809 2/20 0.47

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
SCHEMBL5016190 0.90 ADORA2A (0.69) ADORA2AADORA1KCNH2
SCHEMBL1490033 0.88 ADORA2A (0.73) ADORA2AADORA1KCNH2
SCHEMBL5022516 0.87 ADORA2A (0.72) ADORA2AADORA1KCNH2
SCHEMBL5025000 0.86 ADORA2A (0.52) ADORA2AADORA1
SCHEMBL1489434 0.85 ADORA2A (0.72) ADORA2AADORA1KCNH2
SCHEMBL5023095 0.84 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL5016106 0.84 ADORA2A (0.56) ADORA2AADORA1KCNH2
SCHEMBL1490030 0.84 ADORA2A (0.90) ADORA2AADORA1KCNH2
SCHEMBL1489387 0.83 ADORA2A (0.73) ADORA2AADORA1KCNH2
SCHEMBL1489108 0.83 ADORA2A (0.82) ADORA2AADORA1KCNH2

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
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN 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
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 3/4885KCNH2 1521/4885

“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.