SCHEMBL4584728

SCHEMBL4584728

CC(C)n1cc(-c2nc(C#C[Si](C)(C)C)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.47
ADORA1 P30542 3/20 0.47
ATR Q13535 10/20 0.38
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
PTGDR2 Q9Y5Y4 1/20 0.35
HSD11B1 P28845 1/20 0.34
USP8 P40818 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 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
SCHEMBL4584196 0.85 ADORA2A (0.50) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4585338 0.85 ADORA2A (0.50) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4585169 0.83 ADORA2A (0.57) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL5149232 0.82 RET (0.35) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4583017 0.80 ADORA2A (0.54) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4584518 0.79 ADORA2A (0.53) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4584746 0.79 ADORA2A (0.55) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4584074 0.78 ADORA2A (0.50) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4585009 0.77 ADORA2A (0.51) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4584952 0.77 ADORA2A (0.51) ADORA2AADORA1ATRBMPR1BBMPR1A

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 2 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
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 3/4885ATR 3727/4885

“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.