SCHEMBL4584946

SCHEMBL4584946

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA1 P30542 3/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.41
DGAT1 O75907 3/20 0.40
SOAT1 P35610 3/20 0.40
TGFBR1 P36897 5/20 0.38
BMPR1B O00238 3/20 0.38
BMPR1A P36894 3/20 0.38
ACVRL1 P37023 3/20 0.38
ACVR1 Q04771 3/20 0.38
TNIK Q9UKE5 1/20 0.38
TGFBR2 P37173 1/20 0.37
MAPK14 Q16539 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
MAPK11 Q15759 2/20 0.36
PRKD3 O94806 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL4585016 0.92 ADORA2A (0.51) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4585969 0.92 ADORA2A (0.51) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4584010 0.88 ADORA2A (0.64) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4585042 0.88 ADORA2A (0.47) ADORA2AADORA1PTGDR2TGFBR1BMPR1B
SCHEMBL4583849 0.87 ADORA2A (0.54) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4584782 0.87 ADORA2A (0.51) ADORA2AADORA1PTGDR2TGFBR1BMPR1B
SCHEMBL4584065 0.86 ADORA2A (0.50) ADORA2AADORA1PTGDR2DGAT1SOAT1
SCHEMBL4585041 0.84 ADORA2A (0.51) ADORA2AADORA1PTGDR2TGFBR1BMPR1B
SCHEMBL4586478 0.84 ADORA2A (0.46) ADORA2AADORA1DGAT1SOAT1TGFBR1
SCHEMBL4583807 0.81 ADORA2A (0.44) ADORA2AADORA1DGAT1SOAT1

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 3/4885PTGDR2 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.