SCHEMBL24220705

SCHEMBL24220705

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.56
NT5E P21589 2/20 0.54
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
CA5A P35218 1/20 0.52
ADORA2A P29274 6/20 0.50
ADORA2B P29275 6/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA1 P30542 1/20 0.50
DNMT1 P26358 1/20 0.46
DNMT3B Q9UBC3 1/20 0.46

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
SCHEMBL23474181 0.85 NT5E (0.67) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL23474154 0.85 NT5E (0.67) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL22036992 0.81 LMNA (0.74) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL2405470 0.80 AHCY (0.57) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL2050570 0.80 AHCY (0.57) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL3036906 0.80 LMNA (0.65) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL21132768 0.80 LMNA (0.65) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL3036901 0.80 LMNA (0.65) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL2047557 0.80 NT5E (0.65) AHCYNT5ELMNAHIF1ACA5A
SCHEMBL5362967 0.80 NT5E (0.65) AHCYNT5ELMNAHIF1ACA5A

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 AHCY 2188/4885NT5E 97/4885LMNA 4331/4885

“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.