SCHEMBL8288951

SCHEMBL8288951

O=C(Nc1cc(-n2cccn2)nc(-c2ccco2)n1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.68
ADORA1 P30542 13/20 0.68
ADORA3 P0DMS8 6/20 0.59
ADORA2B P29275 4/20 0.59
POLB P06746 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8288771 0.91 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8286669 0.88 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8287491 0.87 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL5016169 0.86 ADORA2A (0.73) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017660 0.85 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016314 0.84 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL5016065 0.84 ADORA2A (0.82) ADORA2AADORA1ADORA3ADORA2BSCD5
SCHEMBL5022906 0.83 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BSCD5
SCHEMBL5016119 0.83 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BSCD5
SCHEMBL5016229 0.83 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
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
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.