SCHEMBL4585752

SCHEMBL4585752

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccccc2Cl)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.43
ADORA1 P30542 1/20 0.43
IKBKB O14920 1/20 0.40
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
DGAT1 O75907 4/20 0.36
SOAT1 P35610 4/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL4585798 0.88 ADORA2A (0.43) ADORA2AADORA1IKBKBUSP1WDR48
SCHEMBL4585042 0.88 ADORA2A (0.47) ADORA2AADORA1USP1WDR48PTGDR2
SCHEMBL4584074 0.87 ADORA2A (0.50) ADORA2AADORA1DGAT1SOAT1PTGDR2
SCHEMBL4583807 0.87 ADORA2A (0.44) ADORA2AADORA1IKBKBHSD17B10DGAT1
SCHEMBL4585807 0.86 ADORA2A (0.49) ADORA2AADORA1IKBKBDGAT1SOAT1
SCHEMBL27646765 0.86 ADORA2A (0.41) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4583872 0.84 IKBKB (0.44) ADORA2AADORA1IKBKBCNR2PTGDR2
SCHEMBL4586478 0.84 ADORA2A (0.46) ADORA2AADORA1DGAT1SOAT1BMPR1B
SCHEMBL4584131 0.83 ADORA2A (0.46) ADORA2AADORA1IKBKBDGAT1SOAT1
SCHEMBL4584605 0.82 SCN9A (0.43) ADORA2AADORA1USP1WDR48LRRK2

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.