SCHEMBL5149100

SCHEMBL5149100

Cn1nc(-c2nc(-n3cccn3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.39
ADORA2B P29275 4/20 0.39
ADORA1 P30542 3/20 0.39
ALDH1A1 P00352 3/20 0.36
BRD4 O60885 2/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NTRK1 P04629 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CSF1R P07333 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CSNK1A1 P48729 1/20 0.34

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
SCHEMBL5152752 0.86 ADORA2A (0.37) ADORA2AADORA2BADORA1ALDH1A1MAPT
SCHEMBL5150645 0.85 ADORA2A (0.39) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL5150818 0.85 LMNA (0.41) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL5150738 0.83 CYP11B1 (0.38) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL5147984 0.82 BRD4 (0.43) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL5149038 0.79 HRH3 (0.46) ADORA2AADORA1ALDH1A1BRD4MAPT
SCHEMBL5152848 0.79 ALDH1A1 (0.41) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL5149114 0.79 BRD4 (0.40) ADORA2AADORA2BADORA1ALDH1A1BRD4
SCHEMBL4585751 0.78 ADORA2A (0.50) ADORA2AADORA2BADORA1MAPTHTT
SCHEMBL5152965 0.77 ADORA2A (0.47) ADORA2AADORA2BADORA1ALDH1A1BRD4

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 1/4885ADORA2B 5/4885ADORA1 3/4885

“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.