SCHEMBL21263835

SCHEMBL21263835

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(O)(=S)OC[C@@H]2[C@@H](COP(O)(O)=S)C[C@H]2n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ RNASEL Q05823 1/20 0.39
▸ FHIT P49789 4/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ENPP1 P22413 3/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.37
▸ AHCY P23526 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADA P00813 1/20 0.37

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
SCHEMBL20691308 0.92 RNASEL (0.44) POLBRNASELFHITBCHEENPP1
SCHEMBL24258606 0.88 POLB (0.42) POLBRNASELFHITBCHEENPP1
SCHEMBL20691300 0.84 FHIT (0.38) POLBRNASELFHITBCHEENPP1
SCHEMBL6915658 0.81 BCHE (0.51) POLBBCHEENPP1P2RY1TAS1R3
SCHEMBL22990586 0.81 BCHE (0.51) POLBBCHEENPP1P2RY1TAS1R3
SCHEMBL20225033 0.81 BCHE (0.51) POLBBCHEENPP1P2RY1TAS1R3
SCHEMBL20691398 0.78 POLB (0.53) POLBRNASELFHITENPP1P2RY1
SCHEMBL22765943 0.77 POLB (0.51) POLBFHITENPP1P2RY1TAS1R3
SCHEMBL24444145 0.76 POLB (0.46) POLBRNASELFHITENPP1P2RY1
SCHEMBL24258656 0.76 TAS1R3 (0.42) RNASELFHITBCHEP2RY1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — 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

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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 POLB 30/4885RNASEL 662/4885FHIT 4468/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 POLB 30/4885RNASEL 662/4885FHIT 4468/4885

“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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