SCHEMBL4585198

SCHEMBL4585198

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccc(OC(F)(F)F)cc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
ADORA1 P30542 2/20 0.47
SCN9A Q15858 6/20 0.41
FPR2 P25090 2/20 0.41
BTK Q06187 2/20 0.38
ADORA2B P29275 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 0.37
KDM5A P29375 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
CXCR3 P49682 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL4584974 0.90 IRAK4 (0.44) ADORA2AADORA1SCN9AADORA2BKDM5A
SCHEMBL4584948 0.87 ADORA2A (0.47) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584605 0.85 SCN9A (0.43) ADORA2AADORA1SCN9AADORA2B
SCHEMBL4584010 0.85 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3BMPR1B
SCHEMBL4584074 0.84 ADORA2A (0.50) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584065 0.81 ADORA2A (0.50) ADORA2AADORA1ADORA2BBMPR1BBMPR1A
SCHEMBL4584203 0.80 ADORA2A (0.47) ADORA2AADORA1SCN9AFPR2BMPR1B
SCHEMBL4584451 0.80 IKBKB (0.47) ADORA2AADORA1ADORA3
SCHEMBL4584782 0.79 ADORA2A (0.51) ADORA2AADORA1ADORA2BBMPR1BBMPR1A
SCHEMBL4584843 0.79 ADORA2A (0.46) ADORA2AADORA1BMPR1BBMPR1ATGFBR1

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 3/4885SCN9A 1157/4885

“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.