SCHEMBL21264012

SCHEMBL21264012

O=c1c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2nc2n(CCc3ccc([N+](=O)[O-])cc3)ccn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 0.46
▸ POLA1 P09884 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ SLC28A3 Q9HAS3 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL24258630 0.85 CYP1A2 (0.46) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24444132 0.85 CYP1A2 (0.46) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL21263864 0.84 SLC29A1 (0.56) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24258662 0.83 SLC29A1 (0.40) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24258589 0.83 SLC29A1 (0.39) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL25688724 0.79 SLC29A1 (0.49) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL7027953 0.76 SLC29A1 (0.58) SLC29A1POLA1CYP3A4LMNARAB9A
SCHEMBL29471805 0.74 LMNA (0.51) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL21263857 0.74 LMNA (0.41) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL25688725 0.73 SLC29A1 (0.39) SLC29A1CYP3A4LMNARAB9APKM

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 SLC29A1 537/4885POLA1 63/4885CYP3A4 3633/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 SLC29A1 537/4885POLA1 63/4885CYP3A4 3633/4885

“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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