SCHEMBL23982189

SCHEMBL23982189

Nc1ncnc2c1ncn2[C@H]1C[C@H](N)C(CO)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 1/20 0.62
▸ ADORA3 P0DMS8 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ ADORA2A P29274 3/20 0.60
▸ ADORA2B P29275 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ PI4KA P42356 2/20 0.60
▸ PI4K2B Q8TCG2 2/20 0.60
▸ PI4K2A Q9BTU6 2/20 0.60
▸ PI4KB Q9UBF8 2/20 0.60
▸ ADORA1 P30542 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ STAT6 P42226 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
SCHEMBL29763162 1.00 ADA (0.62) ADAADORA3POLBADORA2AADORA2B
SCHEMBL4127891 1.00 ADA (0.62) ADAADORA3POLBADORA2AADORA2B
SCHEMBL14565317 1.00 ADA (0.62) ADAADORA3POLBADORA2AADORA2B
SCHEMBL20434921 1.00 ADA (0.62) ADAADORA3POLBADORA2AADORA2B
SCHEMBL4127888 1.00 ADA (0.62) ADAADORA3POLBADORA2AADORA2B
SCHEMBL25496381 0.88 AHCY (0.53) ADAADORA3POLBADORA2AADORA2B
Deoxyadenosine SCHEMBL19877 0.88 HIF1A (0.71) ADAADORA3POLBADORA2AADORA2B
Deoxyadenosine SCHEMBL5182039 0.88 HIF1A (0.71) ADAADORA3POLBADORA2AADORA2B
Deoxyadenosine SCHEMBL193181 0.88 HIF1A (0.71) ADAADORA3POLBADORA2AADORA2B
Deoxyadenosine SCHEMBL21637036 0.88 HIF1A (0.71) ADAADORA3POLBADORA2AADORA2B

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 ADA 12/4885ADORA3 13/4885POLB 1466/4885

“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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