SCHEMBL5022977

SCHEMBL5022977

CC(C(=O)Nc1cc(-n2cccn2)nc(-c2nccs2)n1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.57
ADORA1 P30542 11/20 0.57
ADORA2B P29275 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.35
ADRB3 P13945 1/20 0.34
ELOVL1 Q9BW60 2/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL5025053 0.87 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3ADRB3
SCHEMBL5024977 0.84 ADORA2A (0.43) ADORA2AADORA1ADORA2BPOLBFFAR2
SCHEMBL5026404 0.83 ADORA2A (0.57) ADORA2AADORA1CYP3A4
SCHEMBL5022539 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL5017763 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3POLB
SCHEMBL5026267 0.77 ADORA2A (0.49) ADORA2AADORA1ADORA3POLB
SCHEMBL5022294 0.76 ADORA2A (0.72) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL1490085 0.76 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL1490215 0.76 ADORA2A (0.72) ADORA2AADORA1ADORA2BADORA3CYP3A4
SCHEMBL5025043 0.75 ADORA2A (0.71) ADORA2AADORA1ADORA2BADORA3CYP3A4

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 4 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
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

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 3/4885ADORA2B 4/4885

“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.