SCHEMBL25814044

SCHEMBL25814044

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ ADORA3 P0DMS8 4/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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 0.92 HPGD (0.48) HPGDADORA3ADORA2APDE2AADORA1
SCHEMBL20547890 0.87 ADORA2A (0.55) HPGDADORA3ADORA2APDE2AADORA1
SCHEMBL4858272 0.85 HPGD (0.59) HPGDADORA3ADORA2ALMNANT5E
SCHEMBL20547587 0.79 MEN1 (0.48) HPGDADORA3ADORA2AADORA1LMNA
SCHEMBL22577553 0.78 HPGD (0.38) HPGDADORA3ADORA2APDE2AADORA1
SCHEMBL20547914 0.76 ADORA2A (0.38) HPGDADORA3ADORA2APDE2AADORA1
SCHEMBL24258539 0.76 SLC29A1 (0.42) HPGDLMNANT5EPAX8SLC29A1
SCHEMBL4528206 0.74 PNP (0.54) PDE4DPDE3ALMNAHIF1ATP53
SCHEMBL21263936 0.72 LMNA (0.48) LMNANT5ETP53
SCHEMBL20908767 0.71 ALDH1A1 (0.59) HPGDPDE4DPDE3ALMNATP53

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 HPGD 1650/4885ADORA3 117/4885ADORA2A 69/4885

“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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