SCHEMBL23982252

SCHEMBL23982252

OCC1OC(n2cnc3cccnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ CDA P32320 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ADORA2A P29274 3/20 0.54
▸ ADORA2B P29275 3/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SLC28A1 O00337 1/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ SLC28A2 O43868 1/20 0.54
▸ GAPDH P04406 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54

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
SCHEMBL20419156 1.00 MAPT (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL30195858 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL1001272 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL8047049 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL1319619 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL8371824 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL8368934 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL31265252 0.81 ADORA3 (0.56) MAPTCDAKDM4EPKMADORA2A
SCHEMBL4215253 0.80 ADORA3 (0.55) MAPTCDAKDM4EPKMADORA2A
SCHEMBL17203129 0.80 LMNA (0.60) KDM4EPKMADORA2AADORA2BLMNA

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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 — — 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A MAPT 4035/4885CDA 159/4885KDM4E 1117/4885

“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.

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