SCHEMBL4584522

SCHEMBL4584522

CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.75
ADORA1 P30542 3/20 0.75
KCNH2 Q12809 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
BMPR1B O00238 4/20 0.43
BMPR1A P36894 4/20 0.43
TGFBR1 P36897 4/20 0.43
ACVRL1 P37023 4/20 0.43
ACVR1 Q04771 4/20 0.43
BRD4 O60885 1/20 0.42
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ATR Q13535 6/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 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
SCHEMBL4584525 0.91 ADORA2A (0.75) ADORA2AADORA1MAPK14BMPR1BBMPR1A
SCHEMBL4584226 0.86 ADORA2A (0.71) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL29443963 0.86 ADORA2A (1.00) ADORA2AADORA1MAPK13MAPK12MAPK11
SCHEMBL4584418 0.86 ADORA2A (1.00) ADORA2AADORA1MAPK13MAPK12MAPK11
SCHEMBL4584161 0.85 ADORA2A (0.84) ADORA2AADORA1MAPK14BMPR1BBMPR1A
SCHEMBL4584767 0.83 ADORA2A (0.77) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585498 0.83 ADORA2A (0.76) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585764 0.82 ADORA2A (0.68) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL28926809 0.81 ADORA2A (0.49) ADORA2AADORA1KCNH2MAPK13MAPK12
SCHEMBL4584946 0.80 ADORA2A (0.51) ADORA2AADORA1KCNH2MAPK13MAPK12

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 2 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
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 3/4885KCNH2 91/4885

“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.