SCHEMBL24950975

SCHEMBL24950975

CC(C)[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)CC1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.68
PDE3A Q14432 2/20 0.68
PNP P00491 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
NT5E P21589 1/20 0.58
ADORA3 P0DMS8 8/20 0.55
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
PDE2A O00408 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL24220709 1.00 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL23474144 1.00 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL4452532 0.89 PDE4D (0.68) PDE4DPDE3APNPLMNATP53
SCHEMBL17364309 0.88 PDE4D (0.67) PDE4DPDE3APNPLMNATP53
SCHEMBL25619590 0.88 PNP (0.52) PDE4DPDE3APNPLMNATP53
SCHEMBL25619505 0.88 PNP (0.52) PDE4DPDE3APNPLMNATP53
SCHEMBL21088897 0.86 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL21089006 0.86 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL10015808 0.86 PDE4D (0.73) PDE4DPDE3APNPLMNATP53
SCHEMBL12746288 0.84 PDE4D (0.68) PDE4DPDE3APNPLMNATP53

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-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

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-20230192750-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NUDT1, TYMP, NTPCR PDE4D 924/4885PDE3A 2093/4885PNP 8/4885
US-11560400-B2 Salts of diphosphate phosphoramidate of nucleosides as anticancer compounds NUDT1, NTPCR, TYMP PDE4D 918/4885PDE3A 2030/4885PNP 8/4885

“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.