SCHEMBL21263988

SCHEMBL21263988

Nc1ncnc2c1ncn2[C@H]1C[C@@H](COP(O)(=S)O[C@@H]2[C@H](F)CO[C@H]2n2cnc3c(=O)n4ccn(CCc5ccc([N+](=O)[O-])cc5)c4nc32)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ P2RY11 Q96G91 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ RNASEL Q05823 1/20 0.32

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
SCHEMBL24258589 0.75 SLC29A1 (0.39) —
SCHEMBL24444134 0.75 SLC29A1 (0.38) NT5E
SCHEMBL21264012 0.69 SLC29A1 (0.46) —
SCHEMBL21263838 0.68 ADCY5 (0.43) ENPP1P2RY11NT5E
SCHEMBL24258662 0.68 SLC29A1 (0.40) —
SCHEMBL21263864 0.67 SLC29A1 (0.56) —
SCHEMBL21263857 0.67 LMNA (0.41) P2RY11NT5E
SCHEMBL25688724 0.67 SLC29A1 (0.49) —
SCHEMBL24258630 0.65 CYP1A2 (0.46) —
SCHEMBL24444132 0.65 CYP1A2 (0.46) —

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-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 TRDMT1 217/4885ENPP1 45/4885P2RY11 1317/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 TRDMT1 217/4885ENPP1 45/4885P2RY11 1317/4885

“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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