SCHEMBL4584010

SCHEMBL4584010

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.64
ADORA1 P30542 4/20 0.64
TGFBR1 P36897 6/20 0.43
TGFBR2 P37173 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
TNIK Q9UKE5 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SLC9A5 Q14940 1/20 0.39
MAPK14 Q16539 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
NPY5R Q15761 1/20 0.38
DGAT1 O75907 2/20 0.38
SOAT1 P35610 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
SCHEMBL4583849 0.92 ADORA2A (0.54) ADORA2AADORA1TGFBR1TGFBR2ADORA3
SCHEMBL4584503 0.91 ADORA2A (0.64) ADORA2AADORA1TGFBR1TGFBR2ADORA3
SCHEMBL4584074 0.89 ADORA2A (0.50) ADORA2AADORA1TGFBR1PTGDR2BMPR1B
SCHEMBL4584782 0.89 ADORA2A (0.51) ADORA2AADORA1TGFBR1ADORA2BPTGDR2
SCHEMBL4584065 0.89 ADORA2A (0.50) ADORA2AADORA1TGFBR1ADORA2BPTGDR2
SCHEMBL4584946 0.88 ADORA2A (0.51) ADORA2AADORA1TGFBR1TGFBR2ADORA3
SCHEMBL4585016 0.88 ADORA2A (0.51) ADORA2AADORA1TGFBR1TGFBR2ADORA3
SCHEMBL4585807 0.88 ADORA2A (0.49) ADORA2AADORA1TGFBR1PTGDR2SLC9A5
SCHEMBL4584898 0.88 ADORA2A (0.49) ADORA2AADORA1TGFBR1ADORA2BMAPK14
SCHEMBL4586457 0.88 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BPTGDR2

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 5 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
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO 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 3/4885TGFBR1 2294/4885

“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.