SCHEMBL21786916

SCHEMBL21786916

CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OCSSC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ENPP1 P22413 2/20 0.43
P2RY1 P47900 1/20 0.43
AHCY P23526 4/20 0.42
ADA P00813 1/20 0.42
NADK O95544 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
PI4KA P42356 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ADCY1 Q08828 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41

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
SCHEMBL24913397 0.93 POLB (0.42) POLBENPP1P2RY1AHCYADA
SCHEMBL24913503 0.93 POLB (0.42) POLBENPP1P2RY1AHCYADA
SCHEMBL19662777 0.85 ADA (0.47) POLBENPP1P2RY1ADAGAA
SCHEMBL19662096 0.84 P2RX3 (0.56) POLBENPP1P2RY1ALDH1A1
SCHEMBL23734495 0.84 POLB (0.41) POLBENPP1P2RY1AHCYADA
SCHEMBL23734155 0.84 P2RX3 (0.56) POLBENPP1P2RY1ALDH1A1
SCHEMBL23734317 0.84 P2RX3 (0.56) POLBENPP1P2RY1ALDH1A1
SCHEMBL21786816 0.83 ADA (0.43) POLBENPP1P2RY1AHCYADA
SCHEMBL21786870 0.82 POLB (0.48) POLBSTING1
SCHEMBL21786914 0.82 POLB (0.48) POLBSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (2 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT POLB 12/4885ENPP1 309/4885P2RY1 1498/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLB 11/4885ENPP1 271/4885P2RY1 1204/4885

“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.