SCHEMBL4584900

SCHEMBL4584900

COc1ccccc1-c1nc(N)c(C(=O)O)nc1-c1ccc(=O)n(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.44
ADORA1 P30542 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
DPP4 P27487 1/20 0.38
ATR Q13535 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
IKBKB O14920 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL4583807 0.92 ADORA2A (0.44) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4584187 0.88 ADORA2A (0.43) ADORA2AADORA1LCKKDRTEK
SCHEMBL4584817 0.87 ADORA2A (0.51) ADORA2AADORA1ATRPTGDR2BMPR1B
SCHEMBL4586413 0.87 ADORA2A (0.47) ADORA2AADORA1ATRPTGDR2BMPR1B
SCHEMBL4586459 0.85 ADORA2A (0.47) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4585100 0.84 KMT2A (0.44) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4586425 0.83 ADORA2A (0.46) ADORA2AADORA1ATRBMPR1BBMPR1A
SCHEMBL4583858 0.83 USP8 (0.50) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL4584503 0.83 ADORA2A (0.64) ADORA2AADORA1ATRPTGDR2BMPR1B
SCHEMBL4585332 0.82 ADORA2A (0.48) ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2

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 3/4885ALDH1A1 710/4885

“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.