SCHEMBL5017652

SCHEMBL5017652

O=C(Cc1cccnc1)Nc1cc(-c2nccs2)nc(-c2cccs2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.54
ADORA1 P30542 10/20 0.53
ADORA3 P0DMS8 3/20 0.53
MAPK8 P45983 1/20 0.49
HDAC1 Q13547 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
GLS O94925 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL6038247 0.94 ADORA2A (0.53) ADORA2AADORA1ADORA3MAPK8HDAC1
SCHEMBL5022365 0.92 ADORA2A (0.59) ADORA2AADORA1MAPK8GLS
SCHEMBL6038236 0.91 ADORA2A (0.64) ADORA2AADORA1ADORA3MAPK8HDAC1
SCHEMBL5016157 0.86 ADORA2A (0.61) ADORA2AADORA1ADORA3MAPK8HDAC1
SCHEMBL5022756 0.86 ADORA2A (0.71) ADORA2AADORA1MAPK8
SCHEMBL5017837 0.84 ADORA2A (0.51) ADORA2AADORA1MAPK8GLS
SCHEMBL5023042 0.84 ADORA2A (0.63) ADORA2AADORA1ADORA3MAPK8MEN1
SCHEMBL5026311 0.83 ADORA2A (0.61) ADORA2AADORA1MAPK8GLS
SCHEMBL5022900 0.83 ADORA2A (0.54) ADORA2AADORA1ADORA3MAPK8HDAC1
SCHEMBL1489623 0.83 ADORA2A (0.61) 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.