SCHEMBL5075933

SCHEMBL5075933

CCCC[Si](C)(C)OCC(O)CCn1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA1 P30542 4/20 0.54
ADORA2B P29275 1/20 0.54
ALDH1A1 P00352 2/20 0.50
AHCY P23526 1/20 0.47
FGFR1 P11362 3/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ADA P00813 4/20 0.46
PDE2A O00408 3/20 0.46
CYP3A4 P08684 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL985389 0.82 ADORA2A (0.51) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL5077097 0.82 ADORA2A (0.51) ADORA2AADORA1ADORA2BALDH1A1FGFR1
SCHEMBL12922453 0.79 ADORA2A (0.67) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL12948656 0.79 ADORA2A (0.59) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL5965418 0.76 ADORA2A (0.74) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL987631 0.76 ADORA2A (0.74) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL8219215 0.75 ADORA2A (0.62) ADORA2AADORA1ADORA2BALDH1A1FGFR1
SCHEMBL8215843 0.75 ADORA2A (0.62) ADORA2AADORA1ADORA2BALDH1A1FGFR1
SCHEMBL1074972 0.75 ADORA2A (1.00) ADORA2AADORA1ADORA2BALDH1A1AHCY
SCHEMBL11487766 0.75 ADORA2A (0.71) ADORA2AADORA1ADORA2BALDH1A1AHCY

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof NINGBO ZIYUAN PHARMACEUTICALS, INC. (CN) 2008-07-17 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-20080171049-A1 Reversible inhibitors of S-adenosyl-L-homocysteine hydrolase and uses thereof AHCY, AHCYL1, BHMT ADORA2A 72/4885ADORA1 77/4885ADORA2B 183/4885

“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.