SCHEMBL20558074

SCHEMBL20558074

[CH2][C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](F)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.48
▸ ADORA1 P30542 4/20 0.47
▸ BMPR1B O00238 1/20 0.47
▸ ADORA2A P29274 2/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ SMN1; SMN2 Q16637 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
SCHEMBL19190143 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA3
SCHEMBL13964740 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA3
SCHEMBL13974841 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA3
SCHEMBL26435554 0.89 ADORA3 (0.54) P2RY12ADORA1BMPR1BADORA2AADORA2B
SCHEMBL13964749 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA3
SCHEMBL25496571 0.88 ADORA3 (0.59) P2RY12ADORA1BMPR1BADORA2AADORA2B
SCHEMBL26653466 0.88 ADORA3 (0.59) P2RY12ADORA1BMPR1BADORA2AADORA2B
SCHEMBL21625242 0.87 LMNA (0.60) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL18521420 0.87 LMNA (0.60) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL21063207 0.87 LMNA (0.60) ADORA1ADORA2AADORA2BADORA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 — — EP disclosed
EP-3621624-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2020-03-18 — — EP disclosed
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 — — US disclosed
WO-2018208667-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — 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 (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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RY12 360/4885ADORA1 36/4885BMPR1B 647/4885

“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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