SCHEMBL22219981

SCHEMBL22219981

NC(=O)c1cccc2c1nnn2[C@H]1C[C@H](O)[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 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ ENPP1 P22413 3/20 0.51
▸ P2RY1 P47900 1/20 0.51
▸ NADK O95544 1/20 0.50
▸ RNASEL Q05823 2/20 0.48
▸ ADH1A P07327 1/20 0.46

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
SCHEMBL22219802 0.96 POLB (0.52) POLBENPP1P2RY1NADKRNASEL
SCHEMBL22220009 0.91 RNASEL (0.45) POLBNADKRNASELADH1A
SCHEMBL31454757 0.86 POLB (0.70) POLBENPP1P2RY1RNASEL
SCHEMBL29382612 0.86 POLB (0.70) POLBENPP1P2RY1RNASEL
SCHEMBL22220015 0.84 RNASEL (0.47) POLBP2RY1RNASEL
SCHEMBL20792516 0.83 RNASEL (0.51) NADKRNASEL
SCHEMBL22219987 0.82 POLB (0.43) POLBENPP1P2RY1NADKADH1A
SCHEMBL22219807 0.81 POLB (0.42) POLBENPP1P2RY1NADKADH1A
SCHEMBL22219944 0.81 POLB (0.51) POLBENPP1P2RY1NADK
SCHEMBL20691324 0.81 RNASEL (0.46) POLBP2RY1NADKRNASELADH1A

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 POLB 32/4885ENPP1 44/4885P2RY1 725/4885
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 POLB 32/4885ENPP1 44/4885P2RY1 725/4885

“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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