SCHEMBL4584920

SCHEMBL4584920

CC(C)n1cc(-c2nc(N3CCOCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA1 P30542 2/20 0.46
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.40
AR P10275 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL5150685 0.82 HSD17B10 (0.42) ADORA2AADORA1HSD17B10CASP1LMNA
SCHEMBL4583974 0.82 TSHR (0.43) ADORA2AADORA1HSD17B10CASP1MEN1
SCHEMBL4585169 0.81 ADORA2A (0.57) ADORA2AADORA1HSD17B10CASP1LMNA
SCHEMBL4585806 0.81 ADORA2A (0.50) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585751 0.78 ADORA2A (0.50) ADORA2AADORA1MAPTNPSR1L3MBTL1
SCHEMBL4583017 0.78 ADORA2A (0.54) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL27667473 0.78 ADORA2A (0.51) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584518 0.77 ADORA2A (0.53) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584746 0.77 ADORA2A (0.55) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL22250614 0.75 ADORA2A (0.45) ADORA2AADORA1HSD17B10CASP1LMNA

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 3/4885HSD17B10 3193/4885

“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.