SCHEMBL5017904

SCHEMBL5017904

CCC(=O)Nc1cc(-n2cncn2)nc(-c2cccs2)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.65
ADORA1 P30542 12/20 0.65
ADORA3 P0DMS8 9/20 0.65
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ADORA2B P29275 3/20 0.41
PRNP P04156 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL28760680 0.89 ADORA2A (0.53) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5024943 0.89 ADORA2A (0.63) ADORA2AADORA1ADORA3KDM4ERAB9A
SCHEMBL5017703 0.87 ADORA2A (0.48) ADORA2AADORA1ADORA3KDM4ERAB9A
SCHEMBL5016218 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA3KDM4ERAB9A
SCHEMBL28760681 0.84 ADORA2A (0.47) ADORA2AADORA1ADORA3KDM4ERAB9A
SCHEMBL5017739 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016101 0.78 ADORA2A (0.65) ADORA2AADORA1ADORA3
SCHEMBL5016113 0.75 ADORA2A (0.38) ADORA2AADORA1ADORA3KDM4ERAB9A
SCHEMBL5022445 0.75 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BPRNP
SCHEMBL6038237 0.74 ADORA2A (0.38) ADORA2AADORA1ADORA3KDM4ERAB9A

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.