SCHEMBL21089137

SCHEMBL21089137

C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(F)C1O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.80
PDE2A O00408 8/20 0.72
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72
ADRA1A P35348 1/20 0.72
PDE4D Q08499 1/20 0.72
PDE3A Q14432 1/20 0.72
NT5E P21589 8/20 0.61
CD99 P14209 1/20 0.61

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
SCHEMBL21089007 1.00 ADORA3 (0.80) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL12746256 1.00 ADORA3 (0.80) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL4451394 0.89 ADORA3 (1.00) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL3877328 0.89 ADORA3 (1.00) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL19843960 0.89 ADORA3 (1.00) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL22508566 0.87 PDE2A (0.74) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL23474142 0.85 PDE2A (0.69) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL14123296 0.85 PDE2A (0.82) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL24220765 0.85 PDE2A (0.69) ADORA3PDE2AADORA2AADORA1ADRA1A
SCHEMBL10024078 0.85 PDE2A (0.82) ADORA3PDE2AADORA2AADORA1ADRA1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947408-B1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2023-06-07 EP disclosed
US-11560400-B2 Salts of diphosphate phosphoramidate of nucleosides as anticancer compounds NuCana plc (GB) 2023-01-24 US disclosed
EP-4043471-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS Nucana PLC (GB) 2022-08-17 EP disclosed
EP-3720864-B1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2022-01-05 EP disclosed
US-20210171566-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2021-06-10 US disclosed
WO-2020201751-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2020-10-08 WO disclosed
WO-2019110991-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2019-06-13 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 (2 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-20210171566-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NUDT1, NTPCR, TYMP ADORA3 358/4885PDE2A 1730/4885ADORA2A 265/4885
US-11560400-B2 Salts of diphosphate phosphoramidate of nucleosides as anticancer compounds NUDT1, NTPCR, TYMP ADORA3 358/4885PDE2A 1730/4885ADORA2A 265/4885

“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.