SCHEMBL4858272

SCHEMBL4858272

O=c1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc2[nH]ccn12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.59
▸ PAX8 Q06710 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ADORA3 P0DMS8 3/20 0.53
▸ ADORA2A P29274 2/20 0.53
▸ NT5E P21589 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ADORA2B P29275 1/20 0.52
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL22577530 0.91 HPGD (0.48) HPGDPAX8LMNATP53ADORA3
SCHEMBL20547890 0.91 ADORA2A (0.55) HPGDPAX8LMNATP53ADORA3
SCHEMBL20547587 0.88 MEN1 (0.48) HPGDPAX8LMNATP53ADORA3
SCHEMBL25814044 0.85 HPGD (0.43) HPGDPAX8LMNATP53ADORA3
SCHEMBL24258539 0.82 SLC29A1 (0.42) HPGDPAX8LMNANT5E
SCHEMBL29386795 0.82 HPGD (0.59) HPGDPAX8LMNATP53ADORA3
SCHEMBL4528206 0.82 PNP (0.54) LMNATP53HIF1A
SCHEMBL30500681 0.80 PNP (0.44) HPGDPAX8LMNA
SCHEMBL22577553 0.80 HPGD (0.38) HPGDPAX8LMNATP53ADORA3
SCHEMBL20547914 0.78 ADORA2A (0.38) HPGDPAX8LMNAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — US disclosed
US-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — US disclosed
US-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — US disclosed
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-04-21 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 — — EP disclosed
US-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — US disclosed
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
US-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof BAR-ILAN UNIVERSITY (IL) 2006-07-27 — — 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 (8 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-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof NUDT1, NT5C2, DUT HPGD 2417/4885PAX8 2990/4885LMNA 459/4885
US-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 HPGD 278/4885PAX8 4770/4885LMNA 1855/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 HPGD 1717/4885PAX8 1254/4885LMNA 1584/4885
US-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 HPGD 278/4885PAX8 4770/4885LMNA 1855/4885
US-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT HPGD 204/4885PAX8 4774/4885LMNA 2058/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 HPGD 278/4885PAX8 4770/4885LMNA 1855/4885
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, DUT HPGD 204/4885PAX8 4774/4885LMNA 2058/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 HPGD 1650/4885PAX8 1275/4885LMNA 1653/4885

“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.

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