SCHEMBL29913291

SCHEMBL29913291

C=CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 7/20 0.40
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ P2RY12 Q9H244 2/20 0.34
▸ NT5E P21589 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL18511052 0.91 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1P2RY12
SCHEMBL29644745 0.91 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1P2RY12
SCHEMBL29471806 0.91 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1P2RY12
SCHEMBL18927153 0.91 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1P2RY12
SCHEMBL27193645 0.89 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1DOT1L
SCHEMBL29930536 0.88 TYMP (0.39) TYMPPRKAG1PRKAA1PRKAB1ADORA2A
SCHEMBL27193644 0.88 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1ADORA2A
SCHEMBL18822706 0.87 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1P2RY12
SCHEMBL3727493 0.86 TYMP (0.42) TYMPPRKAG1PRKAA1PRKAB1ADORA2B
SCHEMBL30601047 0.85 TYMP (0.43) TYMPNT5EADORA1

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
EP-4305044-B1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V V I (CZ) 2026-02-18 — — EP disclosed
US-20240166681-A1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2024-05-23 — — US disclosed
EP-4305044-A1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS Institute Of Organic Chemistry And Biochemistry As CR, V.V.I. (CZ) 2024-01-17 — — EP disclosed
WO-2022188903-A1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) 2022-09-15 — — WO disclosed
EP-4056579-A1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS Institute Of Organic Chemistry And Biochemistry As CR, V.V.I. (CZ) 2022-09-14 — — 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 (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-20240166681-A1 3'3' CYCLIC DINUCLEOTIDES CONTAINING ISONUCLEOTIDIC UNITS STING1, CGAS, IRF3 TYMP 140/4885PRKAG1 53/4885PRKAA1 405/4885

“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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