SCHEMBL4584129

SCHEMBL4584129

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2cccnc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
ADORA1 P30542 1/20 0.46
IKBKB O14920 1/20 0.42
MKNK1 Q9BUB5 5/20 0.40
MKNK2 Q9HBH9 5/20 0.40
LRRK2 Q5S007 1/20 0.39
RET P07949 1/20 0.39
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 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
SCHEMBL4584074 0.88 ADORA2A (0.50) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584898 0.87 ADORA2A (0.49) ADORA2AADORA1LRRK2BMPR1BBMPR1A
SCHEMBL4584782 0.83 ADORA2A (0.51) ADORA2AADORA1LRRK2BMPR1BBMPR1A
SCHEMBL4583872 0.83 IKBKB (0.44) ADORA2AADORA1IKBKBBMPR1BBMPR1A
SCHEMBL4584010 0.82 ADORA2A (0.64) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585807 0.82 ADORA2A (0.49) ADORA2AADORA1IKBKBSRCBMPR1B
SCHEMBL4585251 0.82 ADORA2A (0.45) ADORA2AADORA1RETBMPR1BBMPR1A
SCHEMBL4583849 0.81 ADORA2A (0.54) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584451 0.81 IKBKB (0.47) ADORA2AADORA1IKBKBLRRK2PIK3CD
SCHEMBL4584229 0.81 ADORA2A (0.69) ADORA2AADORA1PIK3CDABL1EGFR

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 3/4885IKBKB 3409/4885

“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.