SCHEMBL5152533

SCHEMBL5152533

CC(C)n1nc(-c2nc(-c3ccoc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
ADORA1 P30542 2/20 0.39
ATR Q13535 1/20 0.38
MAPK1 P28482 1/20 0.36
PLAU P00749 1/20 0.35
RET P07949 2/20 0.35
TP53 P04637 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
TNK2 Q07912 1/20 0.32
TTK P33981 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31

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 0.90 ADORA2A (0.39) ADORA2AADORA1MAPK1RETTP53
Iodide SCHEMBL5150934 0.85 ADORA2A (0.35) ADORA2AADORA1RETTP53FGFR1
SCHEMBL5149086 0.85 ADORA2A (0.36) ADORA2AADORA1TP53FGFR1FGFR2
SCHEMBL5149233 0.83 ADORA2A (0.40) ADORA2AADORA1POLB
SCHEMBL5152920 0.82 FGFR2 (0.48) MAPK1PLAUFGFR1FGFR2FGFR3
SCHEMBL5152683 0.82 PIK3CD (0.45) ADORA2AADORA1ATRMAPK1RET
Iodide SCHEMBL5149176 0.82 ADORA2A (0.33) ADORA2AADORA1RETTP53FGFR1
SCHEMBL5149235 0.81 ADORA2A (0.39) ADORA2AADORA1ATRRETTP53
SCHEMBL5149110 0.81 PDE1A (0.41) ADORA2AADORA1RETTP53FGFR1
SCHEMBL5152639 0.81 PLAU (0.40) ADORA2APLAURETTP53POLB

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 3/4885ATR 2780/4885

“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.