SCHEMBL23474142

SCHEMBL23474142

CC(C)C1OC(n2cnc3c(N)nc(Cl)nc32)C(F)C1O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.69
ADORA3 P0DMS8 5/20 0.69
ADORA2A P29274 1/20 0.69
ADORA1 P30542 1/20 0.69
ADRA1A P35348 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69
NT5E P21589 8/20 0.66
CD99 P14209 1/20 0.66

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
SCHEMBL23474182 1.00 PDE2A (0.69) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL24220765 1.00 PDE2A (0.69) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL25619489 0.88 ADORA2A (0.53) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL25619498 0.88 ADORA2A (0.53) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21089137 0.85 ADORA3 (0.80) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21089007 0.85 ADORA3 (0.80) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL12746256 0.85 ADORA3 (0.80) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL17752011 0.84 PDE2A (0.77) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL22508566 0.84 PDE2A (0.74) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL21291983 0.84 NT5E (0.57) PDE2AADORA3ADORA2AADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192750-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2023-06-22 US disclosed
US-11560400-B2 Salts of diphosphate phosphoramidate of nucleosides as anticancer compounds NuCana plc (GB) 2023-01-24 US disclosed
US-20220024963-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2022-01-27 US disclosed
US-20210171566-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2021-06-10 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 (4 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 PDE2A 1730/4885ADORA3 358/4885ADORA2A 265/4885
US-20220024963-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NUDT1, ITPA, MTAP PDE2A 1893/4885ADORA3 179/4885ADORA2A 306/4885
US-20230192750-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NUDT1, TYMP, NTPCR PDE2A 1833/4885ADORA3 321/4885ADORA2A 238/4885
US-11560400-B2 Salts of diphosphate phosphoramidate of nucleosides as anticancer compounds NUDT1, NTPCR, TYMP PDE2A 1730/4885ADORA3 358/4885ADORA2A 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.