SCHEMBL5017683

SCHEMBL5017683

CC(=O)Nc1cc(-c2ccco2)nc(-n2cccn2)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.67
ADORA1 P30542 14/20 0.67
ADORA3 P0DMS8 7/20 0.63
ADORA2B P29275 7/20 0.63
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 2/20 0.41
POLB P06746 2/20 0.41
EIF4H Q15056 2/20 0.41
PABPC1 P11940 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL5022577 0.88 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL27681228 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL27681226 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5017767 0.83 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5017677 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3090981 0.76 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5016298 0.76 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL6038190 0.75 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5016178 0.72 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL8287568 0.71 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BCYP3A4

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 6 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
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
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

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.