SCHEMBL21786816

SCHEMBL21786816

BC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)OC1CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.43
POLB P06746 1/20 0.42
ENPP1 P22413 2/20 0.42
P2RY1 P47900 1/20 0.42
AHCY P23526 3/20 0.41
NADK O95544 1/20 0.41
GAA P10253 1/20 0.41
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
DPP4 P27487 1/20 0.40
STING1 Q86WV6 1/20 0.40
MEN1 O00255 1/20 0.40
SLC28A1 O00337 1/20 0.40
MAP3K7 O43318 1/20 0.40
SLC28A2 O43868 1/20 0.40
GAPDH P04406 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2B P29275 1/20 0.40
STAT6 P42226 1/20 0.40

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
SCHEMBL24913503 0.85 POLB (0.42) ADAPOLBENPP1P2RY1AHCY
SCHEMBL24913397 0.85 POLB (0.42) ADAPOLBENPP1P2RY1AHCY
SCHEMBL21787181 0.85 POLB (0.39) ADAPOLBENPP1P2RY1GAA
SCHEMBL19662777 0.84 ADA (0.47) ADAPOLBENPP1P2RY1GAA
SCHEMBL21787143 0.84 P2RX3 (0.54) POLBENPP1P2RY1SMN1; SMN2
SCHEMBL21786916 0.83 POLB (0.43) ADAPOLBENPP1P2RY1AHCY
SCHEMBL21786778 0.83 POLB (0.49) POLBENPP1P2RY1ADORA1SMN1; SMN2
SCHEMBL21786806 0.83 POLB (0.46) POLBSTING1ADORA3
SCHEMBL24913385 0.82 PRKACA (0.41) POLBENPP1P2RY1DOT1L
SCHEMBL24913568 0.81 POLB (0.40) ADAPOLBENPP1P2RY1NADK

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-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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT ADA 23/4885POLB 12/4885ENPP1 309/4885

“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.