SCHEMBL20691320

SCHEMBL20691320

COP(O)(=S)OC[C@H]1O[C@@H](n2cnc3c(O)nc4nccn4c32)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 0.39
▸ ENPP1 P22413 3/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL20692218 0.85 ALDH1A1 (0.31) P2RY1LMNA
SCHEMBL20692199 0.85 ALDH1A1 (0.31) P2RY1LMNA
SCHEMBL20691463 0.79 POLB (0.48) NT5EPOLBENPP1P2RY1PDE4D
SCHEMBL14156818 0.73 PNP (0.60) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14156813 0.72 PIM1 (0.48) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL24680762 0.72 POLB (0.50) NT5EPOLBENPP1P2RY1PDE4D
SCHEMBL14064194 0.71 POLB (0.51) POLBENPP1P2RY1HIF1ATAS1R3
SCHEMBL20692222 0.69 ALDH1A1 (0.32) LMNA
SCHEMBL2883759 0.69 NT5E (0.58) NT5EPOLBENPP1P2RY1
SCHEMBL14156824 0.68 PIM1 (0.44) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744150-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 — — 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-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 NT5E 102/4885POLB 30/4885PIM1 2219/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 NT5E 102/4885POLB 30/4885PIM1 2219/4885

“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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