SCHEMBL20419232

SCHEMBL20419232

CCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)CC1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.54
ADORA3 P0DMS8 1/20 0.50
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRB3 P13945 1/20 0.46
PDE4A P27815 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL22090234 1.00 SLC29A1 (0.54) SLC29A1ADORA3CYP1A2HTR1ACYP2D6
SCHEMBL20419125 1.00 SLC29A1 (0.54) SLC29A1ADORA3CYP1A2HTR1ACYP2D6
SCHEMBL5192646 1.00 SLC29A1 (0.54) SLC29A1ADORA3CYP1A2HTR1ACYP2D6
SCHEMBL5191792 0.87 ADORA3 (0.46) ADORA3CYP1A2ADORA2AADORA2BRXFP1
SCHEMBL11213486 0.84 SLC29A1 (0.69) SLC29A1ADORA3PDE4APDE4DADORA2A
SCHEMBL11038083 0.84 SLC29A1 (0.69) SLC29A1ADORA3PDE4APDE4DADORA2A
SCHEMBL20419176 0.84 HIF1A (0.57) SLC29A1ADORA3
SCHEMBL20419163 0.84 SLC29A1 (0.72) SLC29A1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL5195359 0.84 SLC29A1 (0.72) SLC29A1ADORA3ADORA2AADORA2BRXFP1
SCHEMBL20419192 0.84 LMNA (0.48) SLC29A1CYP1A2HTR1ACYP2D6ADRB3

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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 US disclosed
WO-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 WO 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 SLC29A1 450/4885ADORA3 13/4885CYP1A2 2639/4885

“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.