SCHEMBL5022932

SCHEMBL5022932

CS(=O)(=O)c1nc(N)cc(-c2ccco2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
JAK2 O60674 1/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
STAT3 P40763 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TLR8 Q9NR97 1/20 0.65
BLM P54132 2/20 0.46
ADORA2A P29274 7/20 0.43
ADORA1 P30542 7/20 0.43
ADORA2B P29275 5/20 0.43
PDE10A Q9Y233 1/20 0.42
ADORA3 P0DMS8 2/20 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
SCHEMBL21621272 0.77 ALDH1A1 (0.58) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL30107948 0.77 ALDH1A1 (0.58) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL29044796 0.76 MAPT (0.53) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30488014 0.76 MAPT (0.53) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5017694 0.76 ADORA2A (0.56) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL5413597 0.75 ADORA2A (0.52) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL5022515 0.73 MAPT (0.50) MAPTALDH1A1KDM4EHSD17B10TP53
SCHEMBL5022427 0.73 ADORA2B (0.49) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL21020091 0.72 KDM4E (0.67) MAPTALDH1A1KDM4EHSD17B10NPC1
SCHEMBL5022939 0.72 CCR1 (0.44) KDM4EHSD17B10NPC1RAB9ATP53

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 MAPT 1877/4885ALDH1A1 408/4885KDM4E 3504/4885

“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.