SCHEMBL4584974

SCHEMBL4584974

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2cccc(OC(F)(F)F)c2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
ADORA2A P29274 4/20 0.41
ADORA1 P30542 2/20 0.41
RIPK1 Q13546 2/20 0.41
XDH P47989 1/20 0.40
KDM5A P29375 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
LDHA P00338 1/20 0.39
PLA2G10 O15496 3/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G5 P39877 3/20 0.39
PDE10A Q9Y233 1/20 0.38
ADORA2B P29275 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK14 Q16539 1/20 0.37
SCN9A Q15858 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL4585198 0.90 ADORA2A (0.47) ADORA2AADORA1KDM5AADORA2BSCN9A
SCHEMBL4584451 0.88 IKBKB (0.47) IRAK4ADORA2AADORA1
SCHEMBL4584782 0.84 ADORA2A (0.51) ADORA2AADORA1CSNK1DCSNK1EADORA2B
SCHEMBL4584605 0.84 SCN9A (0.43) ADORA2AADORA1ADORA2BSCN9A
SCHEMBL4584074 0.83 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL4583872 0.82 IKBKB (0.44) ADORA2AADORA1
SCHEMBL4583849 0.81 ADORA2A (0.54) ADORA2AADORA1ADORA2B
SCHEMBL4585100 0.81 KMT2A (0.44) ADORA2AADORA1
SCHEMBL4584065 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA2B
SCHEMBL4584948 0.80 ADORA2A (0.47) ADORA2AADORA1

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 IRAK4 2182/4885ADORA2A 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.