SCHEMBL20691300

SCHEMBL20691300

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(O)(=S)OC[C@@H]2[C@@H](COP(O)(O)=S)C[C@H]2n2cnc3c(O)nc4nccn4c32)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 4/20 0.38
▸ POLB P06746 1/20 0.37
▸ ENPP1 P22413 4/20 0.37
▸ RNASEL Q05823 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ P2RY1 P47900 2/20 0.35
▸ P2RY11 Q96G91 2/20 0.35
▸ DNPH1 O43598 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ TRPM2 O94759 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL20691463 0.87 POLB (0.48) FHITPOLBENPP1RNASELP2RY1
SCHEMBL20691308 0.87 RNASEL (0.44) FHITPOLBENPP1RNASELBCHE
SCHEMBL24679905 0.86 RNASEL (0.40) FHITPOLBENPP1RNASELP2RY1
SCHEMBL21263835 0.84 POLB (0.40) FHITPOLBENPP1RNASELBCHE
SCHEMBL22349199 0.79 ENPP1 (0.38) POLBENPP1RNASELP2RY1P2RY11
SCHEMBL6915658 0.78 BCHE (0.51) POLBENPP1BCHEP2RY1P2RY11
SCHEMBL22990586 0.78 BCHE (0.51) POLBENPP1BCHEP2RY1P2RY11
SCHEMBL20225033 0.78 BCHE (0.51) POLBENPP1BCHEP2RY1P2RY11
SCHEMBL20692218 0.77 ALDH1A1 (0.31) P2RY1P2RY11
SCHEMBL20692199 0.77 ALDH1A1 (0.31) P2RY1P2RY11

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 FHIT 4468/4885POLB 30/4885ENPP1 45/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 FHIT 4468/4885POLB 30/4885ENPP1 45/4885

“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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