SCHEMBL4815868

SCHEMBL4815868

CC(O)n1cnc2ncnc(N)c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.75
ADORA1 P30542 4/20 0.75
DNMT3A Q9Y6K1 1/20 0.44
ADORA2B P29275 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ADA P00813 4/20 0.37
PDE2A O00408 3/20 0.37
CYP3A4 P08684 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL756635 0.86 ADORA2A (1.00) ADORA2AADORA1DNMT3AADORA2BPI4KA
SCHEMBL31060798 0.86 ADORA2A (1.00) ADORA2AADORA1DNMT3AADORA2BPI4KA
SCHEMBL4813561 0.72 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12699730 0.72 ADORA2A (0.55) ADORA2AADORA1DNMT3API4KAPI4K2B
SCHEMBL26976 0.72 ADORA2A (0.61) ADORA2AADORA1DNMT3AADORA2BPI4KA
Hydrochloric Acid SCHEMBL9193025 0.71 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18546883 0.71 ADORA2A (0.61) ADORA2AADORA1ADAPDE2ACYP3A4
SCHEMBL19661762 0.71 ADORA2A (0.61) ADORA2AADORA1ADAPDE2ACYP3A4
SCHEMBL18076190 0.70 ADORA2A (0.56) ADORA2AADORA1DNMT3AADORA2BPI4KA
SCHEMBL946620 0.70 ADORA2A (0.56) ADORA2AADORA1DNMT3AADORA2BPI4KA

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-7371857-B2 Synthesis for hydroxyalkylated heterocyclic bases VALEANT RESEARCH & DEVELOPMENT (US) 2008-05-13 US disclosed
US-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases RIBAPHARM INC. (US) 2006-06-22 US disclosed
WO-2004014912-A1 IMPROVED SYNTHESIS FOR HYDROXYALKYLATED HETEROCYCLIC BASES RIBAPHARM INC. (US) 2004-02-19 WO 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-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases TERT, HRAS, DHPS ADORA2A 4293/4885ADORA1 4545/4885DNMT3A 214/4885

“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.