SCHEMBL24049418

SCHEMBL24049418

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.69
▸ NT5E P21589 1/20 0.66
▸ GSK3A P49840 2/20 0.62
▸ RPS6KA3 P51812 2/20 0.62
▸ MAPK14 Q16539 2/20 0.62
▸ TGM2 P21980 1/20 0.61
▸ PNP P00491 1/20 0.60
▸ KRAS P01116 7/20 0.57
▸ FUT5 Q11128 1/20 0.57
▸ IMPDH2 P12268 1/20 0.56
▸ IMPDH1 P20839 1/20 0.56

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
SCHEMBL24377170 0.91 HINT1 (0.58) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4581569 0.91 HINT1 (0.58) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3514472 0.88 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL20154851 0.88 HPGD (0.57) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL383785 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6468412 0.87 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-07-04 — — US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 — — US disclosed
WO-2021236859-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2021-11-25 — — WO 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-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS STING1, IFNAR1, CGAS HINT1 70/4885NT5E 374/4885GSK3A 4823/4885
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, MTAP HINT1 46/4885NT5E 21/4885GSK3A 2711/4885

“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.

Send feedback