SCHEMBL20691298

SCHEMBL20691298

N#CCCOP(O)(=S)OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ RNASEL Q05823 1/20 0.36
▸ TYMP P19971 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ P2RY1 P47900 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
SCHEMBL20691336 0.90 RNASEL (0.42) AHCYADORA2BRNASELFDPSP2RY1
SCHEMBL20691301 0.86 TYMP (0.47) AHCYRNASELTYMP
SCHEMBL24444066 0.83 ALDH1A1 (0.42) TYMP
SCHEMBL20691937 0.83 P2RY1 (0.36) TYMPFDPSENPP1P2RY1
SCHEMBL20691938 0.78 HIF1A (0.33) TYMPENPP1P2RY1
SCHEMBL22349203 0.78 STING1 (0.38) TYMP
SCHEMBL22349173 0.77 TYMP (0.33) TYMP
SCHEMBL20692127 0.77 TYMP (0.33) TYMP
SCHEMBL21263983 0.77 TAS1R3 (0.36) TYMP
SCHEMBL20691939 0.72 P2RY1 (0.40) RNASELFDPSENPP1P2RY1

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 AHCY 1198/4885ADORA2B 1823/4885RNASEL 662/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 AHCY 1198/4885ADORA2B 1823/4885RNASEL 662/4885

“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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