SCHEMBL25619489

SCHEMBL25619489

Cc1nc(N)c2ncn([C@@H]3O[C@H](C(C)C)C(O)[C@H]3F)c2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
PDE2A O00408 4/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADORA1 P30542 1/20 0.53
ADRA1A P35348 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
NT5E P21589 5/20 0.52
CD99 P14209 1/20 0.52
RNASEL Q05823 1/20 0.49
DNMT1 P26358 1/20 0.48
DNMT3B Q9UBC3 1/20 0.48
ADORA2B P29275 5/20 0.48

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
SCHEMBL25619498 1.00 ADORA2A (0.53) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL25619503 0.90 DNMT1 (0.56) ADORA2AADORA3ADORA1RNASELDNMT1
SCHEMBL25619482 0.90 DNMT1 (0.56) ADORA2AADORA3ADORA1RNASELDNMT1
SCHEMBL24220765 0.88 PDE2A (0.69) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL23474182 0.88 PDE2A (0.69) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL23474142 0.88 PDE2A (0.69) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL27120145 0.84 AHCY (0.58) ADORA2AADORA3ADORA1NT5EADORA2B
SCHEMBL17752044 0.84 ADORA2A (0.60) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL18516034 0.82 ADORA2A (0.77) ADORA2APDE2AADORA3ADORA1ADRA1A
SCHEMBL15459908 0.82 ADORA2A (0.77) ADORA2APDE2AADORA3ADORA1ADRA1A

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-20230192750-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2023-06-22 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-20230192750-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NUDT1, TYMP, NTPCR ADORA2A 238/4885PDE2A 1833/4885ADORA3 321/4885

“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.