SCHEMBL4585113

SCHEMBL4585113

CC(C)n1cc(-c2nc(C(=O)NCCO)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.49
ADORA1 P30542 5/20 0.46
ADORA2B P29275 2/20 0.42

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
SCHEMBL28758570 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA2B
SCHEMBL4584106 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA2B
SCHEMBL4584042 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL4584769 0.86 ADORA2A (0.47) ADORA2AADORA1ADORA2B
SCHEMBL4583361 0.84 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL4584817 0.84 ADORA2A (0.51) ADORA2AADORA1
SCHEMBL4585347 0.84 ADORA2A (0.53) ADORA2AADORA1ADORA2B
SCHEMBL4585332 0.83 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL4584074 0.83 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL4584514 0.83 ADORA2A (0.50) ADORA2AADORA1

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 3/4885ADORA2B 5/4885

“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.