SCHEMBL4583858

SCHEMBL4583858

COc1ccccc1-c1nc(N)c(C#N)nc1-c1ccc(=O)n(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 6/20 0.50
ADORA2A P29274 4/20 0.43
ADORA1 P30542 3/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
HPGD P15428 4/20 0.38
USP7 Q93009 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP47 Q96K76 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4584141 0.86 USP8 (0.52) USP8ADORA2AADORA1ALDH1A1USP7
SCHEMBL4584196 0.85 ADORA2A (0.50) USP8ADORA2AADORA1KDR
SCHEMBL4583807 0.85 ADORA2A (0.44) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4584195 0.84 ADORA1 (0.47) USP8ADORA2AADORA1HTTALDH1A1
SCHEMBL4584900 0.83 ADORA2A (0.44) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4585119 0.83 ADORA2A (0.46) USP8ADORA2AADORA1HTTMEN1
SCHEMBL4584757 0.82 ADORA2A (0.64) USP8ADORA2AADORA1MEN1KMT2A
SCHEMBL4585516 0.80 ADORA2A (0.65) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4584884 0.78 ADORA2A (0.51) USP8ADORA2AADORA1
SCHEMBL4585208 0.78 ADORA2A (0.50) USP8ADORA2AADORA1ALDH1A1KDM4E

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.