SCHEMBL22220009

SCHEMBL22220009

NC(=O)c1cccc2c1nnn2[C@H]1CC[C@@H](COP(=O)(O)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ ADH1A P07327 1/20 0.44
▸ NADK O95544 1/20 0.44

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
SCHEMBL22220015 0.93 RNASEL (0.47) RNASELPOLB
SCHEMBL22219987 0.91 POLB (0.43) POLBADH1ANADK
SCHEMBL22219981 0.91 POLB (0.54) RNASELPOLBADH1ANADK
SCHEMBL22219988 0.88 POLB (0.40) POLBADH1ANADK
SCHEMBL22219802 0.87 POLB (0.52) RNASELPOLBADH1ANADK
SCHEMBL22219985 0.86 POLB (0.42) POLBADH1ANADK
SCHEMBL25582525 0.86 RNASEL (0.57) RNASELPOLB
SCHEMBL22219796 0.84 POLB (0.42) POLB
SCHEMBL22219945 0.83 BCHE (0.39) POLBADH1ANADK
SCHEMBL22349171 0.82 RNASEL (0.44) RNASELPOLB

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-10947263-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-16 — — US disclosed
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2020-07-16 — — 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-10947263-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 RNASEL 692/4885POLB 32/4885ADH1A 2402/4885
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 RNASEL 692/4885POLB 32/4885ADH1A 2402/4885

“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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