SCHEMBL4584608

SCHEMBL4584608

CCn1cc(-c2nc(C(N)=O)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.43
CREBBP Q92793 1/20 0.42
PLAU P00749 3/20 0.41
SLC9A5 Q14940 1/20 0.38
ADORA1 P30542 3/20 0.37
ADORA2B P29275 2/20 0.37
MAP2K3 P46734 1/20 0.36
DGAT1 O75907 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL27667395 0.92 ADORA2A (0.44) ADORA2ACREBBPPLAUADORA1ADORA2B
SCHEMBL4585057 0.91 ADORA2A (0.44) ADORA2APLAUSLC9A5ADORA1ADORA2B
SCHEMBL4584210 0.88 HSD17B10 (0.46) ADORA2AADORA1ADORA3
SCHEMBL4583598 0.84 ADORA2A (0.55) ADORA2APLAUADORA1ADORA2BMAP2K3
SCHEMBL4584074 0.82 ADORA2A (0.50) ADORA2APLAUADORA1MAP2K3DGAT1
SCHEMBL4585054 0.81 USP8 (0.45) ADORA2ACREBBPADORA1ADORA2BADORA3
SCHEMBL5149222 0.80 HTT (0.44) ADORA2APLAUMAP2K3HDAC1
SCHEMBL4584433 0.76 ADORA2A (0.56) ADORA2APLAUADORA1ADORA2B
SCHEMBL5149133 0.75 ADORA2A (0.46) ADORA2APLAUMAP2K3IKBKB
SCHEMBL21730176 0.74 ADORA2A (0.63) ADORA2AADORA1ADORA2B

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 3 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
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 1/4885CREBBP 2113/4885PLAU 1420/4885

“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.