SCHEMBL5024947

SCHEMBL5024947

C[C@H](CO)Nc1cc(-n2cccn2)nc(-c2ccco2)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.66
ADORA1 P30542 16/20 0.66
ADORA3 P0DMS8 6/20 0.58
ADORA2B P29275 4/20 0.58
TDP1 Q9NUW8 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL28760739 1.00 ADORA2A (0.66) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL5017911 0.81 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016215 0.81 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016210 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL5017677 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL27681237 0.80 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017746 0.80 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017646 0.79 ADORA2A (0.80) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6038230 0.79 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL5016168 0.79 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BTDP1

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 8 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 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
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
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.