SCHEMBL4584074

SCHEMBL4584074

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.50
ADORA1 P30542 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.42
PLAU P00749 2/20 0.41
DGAT1 O75907 2/20 0.41
SOAT1 P35610 1/20 0.41
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
ATR Q13535 2/20 0.37
MAP2K3 P46734 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
SCHEMBL4584817 0.92 ADORA2A (0.51) ADORA2AADORA1PTGDR2PLAUBMPR1B
SCHEMBL4584514 0.91 ADORA2A (0.50) ADORA2AADORA1PTGDR2PLAUBMPR1B
SCHEMBL4584010 0.89 ADORA2A (0.64) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4585807 0.89 ADORA2A (0.49) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4584898 0.89 ADORA2A (0.49) ADORA2AADORA1DGAT1SOAT1BMPR1B
SCHEMBL4585332 0.88 ADORA2A (0.48) ADORA2AADORA1PTGDR2
SCHEMBL4585798 0.88 ADORA2A (0.43) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4584782 0.88 ADORA2A (0.51) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4583872 0.88 IKBKB (0.44) ADORA2AADORA1PTGDR2BMPR1BBMPR1A
SCHEMBL4584129 0.88 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 3/4885PTGDR2 226/4885

“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.