SCHEMBL25867310

SCHEMBL25867310

C#C[C@@]1(COC)CC[C@H](n2cnc3c(N)nc(C)nc32)O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 7/20 0.35
ADORA3 P0DMS8 2/20 0.35
RNASEL Q05823 1/20 0.34
PNP P00491 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3B Q9UBC3 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
SCHEMBL25867818 0.88 PNP (0.39) ADORA3PNPLMNATP53HTT
SCHEMBL24336457 0.79 PNP (0.39) NT5EADORA3RNASELPNPLMNA
SCHEMBL12214180 0.78 AHCY (0.41) NT5EADORA3PNPLMNATP53
SCHEMBL25659855 0.78 AHCY (0.45) NT5EADORA3PNPLMNATP53
SCHEMBL21709653 0.78 AHCY (0.40) NT5EADORA3PNPLMNATP53
SCHEMBL13581562 0.76 AHCY (0.42) NT5EADORA3PNPLMNATP53
SCHEMBL22855175 0.76 AHCY (0.47) NT5EADORA3PNPLMNATP53
SCHEMBL2524440 0.76 PDE4D (0.53) NT5EADORA3PNPLMNATP53
SCHEMBL2520516 0.76 AHCY (0.47) NT5EADORA3PNPLMNATP53
SCHEMBL22939391 0.76 CHKA (0.44) NT5EADORA3LMNAADORA2AADORA1

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-20230226093-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. 2023-07-20 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-20230226093-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ADAR, ADA, ADORA2A NT5E 50/4885ADORA3 8/4885RNASEL 31/4885

“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.