SCHEMBL24913574

SCHEMBL24913574

CC(C)(CNC(=O)OC1CC/C=C/CCC1)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)OC1CCO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.36
POLB P06746 1/20 0.36
ADCY5 O95622 3/20 0.35
ENPP1 P22413 2/20 0.35
P2RY1 P47900 1/20 0.35
STING1 Q86WV6 3/20 0.35
ADA P00813 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 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
SCHEMBL19662810 0.89 P2RX3 (0.44) POLBP2RY1
SCHEMBL19662411 0.89 P2RX3 (0.44) POLBP2RY1
SCHEMBL21787181 0.86 POLB (0.39) DOT1LPOLBADCY5ENPP1P2RY1
SCHEMBL24913385 0.83 PRKACA (0.41) DOT1LPOLBADCY5ENPP1P2RY1
SCHEMBL21786816 0.80 ADA (0.43) DOT1LPOLBENPP1P2RY1STING1
SCHEMBL24913573 0.78
SCHEMBL24913388 0.77 POLB (0.46) POLB
SCHEMBL19662777 0.77 ADA (0.47) DOT1LPOLBENPP1P2RY1STING1
SCHEMBL21787067 0.75 P2RX3 (0.45) POLBP2RY1
SCHEMBL21787066 0.75 P2RX3 (0.45) POLBP2RY1

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-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

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 DOT1L 2082/4885POLB 11/4885ADCY5 1953/4885

“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.