SCHEMBL4585018

SCHEMBL4585018

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2cccs2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.45
ADORA1 P30542 1/20 0.45
PLAU P00749 2/20 0.44
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
RET P07949 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC3 O15379 2/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
NEK2 P51955 1/20 0.36
ATR Q13535 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL4585715 0.92 ADORA2A (0.45) ADORA2AADORA1PLAUERCC1FEN1
SCHEMBL4584950 0.87 ADORA2A (0.49) ADORA2AADORA1PLAUERCC1FEN1
SCHEMBL4584074 0.85 ADORA2A (0.50) ADORA2AADORA1PLAUBMPR1BBMPR1A
SCHEMBL4585658 0.84 ADORA2A (0.46) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584898 0.84 ADORA2A (0.49) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584537 0.83 ADORA2A (0.44) ADORA2AADORA1PLAUBMPR1BBMPR1A
SCHEMBL4584010 0.81 ADORA2A (0.64) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585807 0.81 ADORA2A (0.49) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4583849 0.81 ADORA2A (0.54) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL5149225 0.80 RET (0.45) ADORA2AADORA1PLAUERCC1FEN1

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 3/4885PLAU 1420/4885

“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.