SCHEMBL22219802

SCHEMBL22219802

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)S)O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ ENPP1 P22413 3/20 0.49
▸ P2RY1 P47900 1/20 0.49
▸ NADK O95544 2/20 0.48
▸ ADH1A P07327 1/20 0.45
▸ DTYMK P23919 2/20 0.44
▸ RNASEL Q05823 2/20 0.43

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
SCHEMBL22219981 0.96 POLB (0.54) POLBENPP1P2RY1NADKADH1A
SCHEMBL22219987 0.87 POLB (0.43) POLBENPP1P2RY1NADKADH1A
SCHEMBL22220009 0.87 RNASEL (0.45) POLBNADKADH1ARNASEL
SCHEMBL22219807 0.86 POLB (0.42) POLBENPP1P2RY1NADKADH1A
SCHEMBL22219944 0.86 POLB (0.51) POLBENPP1P2RY1NADKDTYMK
SCHEMBL22219985 0.83 POLB (0.42) POLBENPP1P2RY1NADKADH1A
SCHEMBL22220016 0.82 P2RX3 (0.41) P2RY1NADKADH1A
SCHEMBL22219982 0.82 POLB (0.41) POLBENPP1P2RY1NADKADH1A
SCHEMBL22219789 0.81 POLB (0.45) POLBENPP1P2RY1
SCHEMBL31454757 0.81 POLB (0.70) POLBENPP1P2RY1RNASEL

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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