SCHEMBL5149161

SCHEMBL5149161

CC(=O)c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 1/20 0.33
BMPR1B O00238 1/20 0.32

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
SCHEMBL21384038 0.85 POLB (0.39) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL6825732 0.84 POLB (0.35) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL21384009 0.81 MAPK1 (0.41) TP53POLBALDH1A1KDM4EL3MBTL1
SCHEMBL5152357 0.77 CES2 (0.43) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL5152449 0.77 KDM4E (0.32) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL5152443 0.77 KDM4E (0.32) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL6826156 0.75 POLB (0.44) TP53POLBALDH1A1HPGDKDM4E
SCHEMBL31728945 0.75 ALDH1A1 (0.51) POLBALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6539205 0.74 MAPT (0.44) TP53EGFRPOLBALDH1A1HPGD
SCHEMBL5152455 0.74 BMPR1B (0.31) TP53BMPR1BBMPR1ATGFBR1ACVRL1

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 TP53 2221/4885PIK3CD 2187/4885ABL1 2520/4885

“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.