SCHEMBL5022635

SCHEMBL5022635

CC(C(=O)Nc1cc(-c2nccs2)nc(-c2ccco2)n1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.57
ADORA1 P30542 15/20 0.57
ADORA3 P0DMS8 4/20 0.46
ADORA2B P29275 4/20 0.46
MYC P01106 1/20 0.40
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL5024977 0.89 ADORA2A (0.43) ADORA2AADORA1ADORA2BHPGDMCL1
SCHEMBL5022617 0.87 ADORA2A (0.59) ADORA2AADORA1HPGDMCL1
SCHEMBL5016204 0.85 ADORA3 (0.48) ADORA2AADORA1ADORA3ADORA2BMCL1
SCHEMBL5026267 0.85 ADORA2A (0.49) ADORA2AADORA1ADORA3HPGDMCL1
SCHEMBL5017763 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BMCL1
SCHEMBL5023042 0.80 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2BMYC
SCHEMBL5017710 0.78 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017734 0.77 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BMYC
SCHEMBL1490048 0.77 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BMYC
SCHEMBL5023095 0.76 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BMYC

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 3/4885ADORA3 2/4885

“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.