SCHEMBL4585401

SCHEMBL4585401

CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2ccoc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.46
ADORA2A P29274 13/20 0.44
ADORA1 P30542 6/20 0.44
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
ATR Q13535 2/20 0.37
ADORA2B P29275 2/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL4585965 0.91 PLAU (0.46) PLAUADORA2AADORA1BMPR1BBMPR1A
SCHEMBL4584817 0.85 ADORA2A (0.51) PLAUADORA2AADORA1BMPR1BBMPR1A
SCHEMBL4584868 0.83 ADORA2A (0.49) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584503 0.83 ADORA2A (0.64) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584246 0.83 ADORA2A (0.44) PLAUADORA2AADORA1BMPR1BBMPR1A
SCHEMBL4584621 0.82 ADORA2A (0.54) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4586459 0.81 ADORA2A (0.47) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584157 0.81 ADORA2A (0.50) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4586424 0.80 ADORA2A (0.44) PLAUADORA2AADORA1BMPR1BBMPR1A
SCHEMBL4582786 0.80 ADORA2A (0.69) ADORA2AADORA1BMPR1BBMPR1ATGFBR1

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 PLAU 1420/4885ADORA2A 1/4885ADORA1 3/4885

“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.