SCHEMBL4584141

SCHEMBL4584141

CC(C)n1cc(-c2nc(C#N)c(N)nc2-c2ccccc2F)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP8 P40818 3/20 0.52
ADORA2A P29274 4/20 0.47
ADORA1 P30542 3/20 0.47
ALDH1A1 P00352 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
ATR Q13535 5/20 0.39
ALOX5AP P20292 6/20 0.38
FEN1 P39748 6/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38

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 0.87 ADORA2A (0.50) USP8ADORA2AADORA1ATRBMPR1B
SCHEMBL4585208 0.86 ADORA2A (0.50) USP8ADORA2AADORA1ALDH1A1ATR
SCHEMBL4584757 0.86 ADORA2A (0.64) USP8ADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4583858 0.86 USP8 (0.50) USP8ADORA2AADORA1ALDH1A1USP7
SCHEMBL4584884 0.84 ADORA2A (0.51) USP8ADORA2AADORA1ADORA2BATR
SCHEMBL4585042 0.83 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BATR
SCHEMBL4586413 0.81 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BATR
SCHEMBL4584195 0.80 ADORA1 (0.47) USP8ADORA2AADORA1ALDH1A1ATR
SCHEMBL4584226 0.79 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BATR
SCHEMBL4584492 0.79 ADORA2A (0.46) USP8ADORA2AADORA1ALDH1A1USP7

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 USP8 4884/4885ADORA2A 1/4885ADORA1 3/4885

“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.