SCHEMBL9687054

SCHEMBL9687054

Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.66
ADORA2B P29275 3/20 0.66
ADORA2A P29274 5/20 0.61
ADORA3 P0DMS8 3/20 0.61
ADORA1 P30542 3/20 0.61
PI4KA P42356 3/20 0.57
PI4K2B Q8TCG2 3/20 0.57
PI4K2A Q9BTU6 3/20 0.57
PI4KB Q9UBF8 3/20 0.57
DPP4 P27487 1/20 0.53

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
SCHEMBL12157236 1.00 AHCY (0.66) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL12173989 1.00 AHCY (0.66) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9308490 0.93 AHCY (0.70) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL12858753 0.90 ADORA2A (0.64) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL4894825 0.90 ADORA2A (0.64) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9686973 0.89 ADORA2A (0.58) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL10521577 0.86 AHCY (0.61) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL10395085 0.86 AHCY (0.48) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9309056 0.86 ADORA2A (0.69) AHCYADORA2BADORA2AADORA3ADORA1
SCHEMBL9308668 0.86 ADORA2A (0.69) AHCYADORA2BADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I (CZ) 2022-05-26 US disclosed
US-5155112-A Antiviral agents; Herpes virus GLAXO GROUP LIMITED (GB) 1992-10-13 US disclosed
EP-0430518-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP 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-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS AHCY 1261/4885ADORA2B 1812/4885ADORA2A 660/4885
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR STING1, MAVS, CGAS AHCY 1191/4885ADORA2B 1765/4885ADORA2A 652/4885

“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.