SCHEMBL22219945

SCHEMBL22219945

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ IMPDH2 P12268 2/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ NADK O95544 2/20 0.36
▸ ADH1A P07327 1/20 0.36
▸ P2RY1 P47900 2/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ TRPM2 O94759 2/20 0.35
▸ DNPH1 O43598 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PDE4D Q08499 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
SCHEMBL22219985 0.92 POLB (0.42) POLBIMPDH2IMPDH1NADKADH1A
SCHEMBL22219988 0.90 POLB (0.40) BCHEPOLBIMPDH2IMPDH1NADK
SCHEMBL22930684 0.86 POLB (0.47) BCHEPOLBP2RY1ENPP1TRPM2
SCHEMBL18823061 0.86 POLB (0.47) BCHEPOLBP2RY1ENPP1TRPM2
SCHEMBL22219986 0.83 POLB (0.35) POLBIMPDH2IMPDH1NADKADH1A
SCHEMBL22220009 0.83 RNASEL (0.45) POLBNADKADH1A
SCHEMBL22220035 0.82 NADK (0.39) BCHEPOLBIMPDH2IMPDH1NADK
SCHEMBL22219987 0.82 POLB (0.43) POLBIMPDH2IMPDH1NADKADH1A
SCHEMBL22219982 0.81 POLB (0.41) POLBIMPDH2IMPDH1NADKADH1A
SCHEMBL22219933 0.81 POLB (0.40) POLBIMPDH2IMPDH1NADKADH1A

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 BCHE 3192/4885POLB 32/4885IMPDH2 67/4885
US-20200223883-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 BCHE 3192/4885POLB 32/4885IMPDH2 67/4885

“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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