SCHEMBL5017774

SCHEMBL5017774

CN(C)CC(=O)Nc1cc(-c2cccs2)nc(-c2cccs2)n1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.75
ADORA1 P30542 9/20 0.75
ADORA3 P0DMS8 5/20 0.75
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
PRNP P04156 1/20 0.42
ADORA2B P29275 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 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
SCHEMBL5026314 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL5017735 0.89 ADORA2A (0.68) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL5017711 0.88 ADORA2A (0.59) ADORA2AADORA1ADORA3MAPTNPC1
SCHEMBL5025057 0.88 ADORA2A (0.58) ADORA2AADORA1ADORA3
SCHEMBL5026286 0.87 ADORA2A (0.58) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL5022267 0.87 ADORA2A (0.60) ADORA2AADORA1ADORA3MAPTNPC1
SCHEMBL5016106 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA3
SCHEMBL5022247 0.82 ADORA2A (0.67) ADORA2AADORA1ADORA3PRNPADORA2B
SCHEMBL5023118 0.81 ADORA2A (0.55) ADORA2AADORA1ADORA3
SCHEMBL5025000 0.76 ADORA2A (0.52) ADORA2AADORA1ADORA3

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.