SCHEMBL4584959

SCHEMBL4584959

CC(C)n1cc(-c2nc(C(=O)O)c(N)nc2-c2cn[nH]c2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
ADORA1 P30542 2/20 0.46
MTOR P42345 2/20 0.41
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
ATR Q13535 5/20 0.37
PIK3CA P42336 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL4584843 0.92 ADORA2A (0.46) ADORA2AADORA1MTORBMPR1BBMPR1A
SCHEMBL4584817 0.84 ADORA2A (0.51) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4586459 0.83 ADORA2A (0.47) ADORA2AADORA1MTORBMPR1BBMPR1A
SCHEMBL4584868 0.82 ADORA2A (0.49) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584503 0.82 ADORA2A (0.64) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584621 0.81 ADORA2A (0.54) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4584686 0.81 ADORA2A (0.69) ADORA2AADORA1MTORBMPR1BBMPR1A
SCHEMBL4584157 0.81 ADORA2A (0.50) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4585401 0.80 PLAU (0.46) ADORA2AADORA1BMPR1BBMPR1ATGFBR1
SCHEMBL4586424 0.80 ADORA2A (0.44) 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 ADORA2A 1/4885ADORA1 3/4885MTOR 1810/4885

“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.