SCHEMBL5149233

SCHEMBL5149233

CC(C)n1nc(-c2nc(-c3ccco3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.40
ADORA1 P30542 5/20 0.40
ADORA2B P29275 3/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
BLM P54132 1/20 0.40
SMARCA2 P51531 1/20 0.36
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5147958 0.88 ADORA2A (0.39) ADORA2AADORA1ALDH1A1HSD17B10HPGD
SCHEMBL5149132 0.86 ADORA2A (0.44) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL5152533 0.83 ADORA2A (0.39) ADORA2AADORA1POLB
Iodide SCHEMBL5150934 0.83 ADORA2A (0.35) ADORA2AADORA1ALDH1A1KDM4EPOLB
SCHEMBL4585211 0.83 ADORA2A (0.48) ADORA2AADORA1ADORA2BALDH1A1HSD17B10
SCHEMBL5149086 0.83 ADORA2A (0.36) ADORA2AADORA1POLBSMN1; SMN2
SCHEMBL5149110 0.81 PDE1A (0.41) ADORA2AADORA1ADORA2BALDH1A1KMT2A
SCHEMBL5149057 0.80 TP53 (0.36) ADORA2AADORA1KDM4EPOLBADORA3
SCHEMBL5150753 0.80 ADORA2A (0.38) ADORA2AADORA1ADORA2BKDM4EPOLB
SCHEMBL5148960 0.80 POLB (0.39) ADORA2AALDH1A1HPGDKDM4EPOLB

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, 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.