SCHEMBL4585751

SCHEMBL4585751

CC(C)n1cc(-c2nc(-n3cccn3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2B P29275 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
ATR Q13535 5/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM5B Q9UGL1 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NTRK1 P04629 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL4585806 0.85 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL4585169 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL5152752 0.82 ADORA2A (0.37) ADORA2AADORA1ADORA2BADORA3KDM5B
SCHEMBL4583017 0.80 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL27667473 0.79 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL4584746 0.79 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL4584518 0.79 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL4584920 0.78 ADORA2A (0.46) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL5149100 0.78 ADORA2A (0.39) ADORA2AADORA1ADORA2BADORA3PDE10A
SCHEMBL4584555 0.77 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3BMPR1B

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-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885

“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.