SCHEMBL4584518

SCHEMBL4584518

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.53
ADORA1 P30542 3/20 0.53
PTGDR2 Q9Y5Y4 3/20 0.41
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
TGFBR1 P36897 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
ATR Q13535 7/20 0.39
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL4585169 0.89 ADORA2A (0.57) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4583017 0.86 ADORA2A (0.54) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584817 0.85 ADORA2A (0.51) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584952 0.85 ADORA2A (0.51) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584746 0.85 ADORA2A (0.55) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584514 0.84 ADORA2A (0.50) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584074 0.84 ADORA2A (0.50) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584516 0.84 ADORA2A (0.50) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584864 0.83 ADORA2A (0.49) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584555 0.82 ADORA2A (0.51) ADORA2AADORA1PTGDR2BMPR1BBMPR1A

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 3/4885PTGDR2 226/4885

“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.