SCHEMBL24220765

SCHEMBL24220765

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

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
SCHEMBL23474142 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024963-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2022-01-27 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-20220024963-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NUDT1, ITPA, MTAP PDE2A 1893/4885ADORA3 179/4885ADORA2A 306/4885

“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.