SCHEMBL24444134

SCHEMBL24444134

O=c1c2ncn([C@@H]3O[C@H](CO)[C@@H](F)[C@H]3OP(O)(=S)OC[C@H]3C[C@@H](n4cnc5c(Cl)ncnc54)[C@@H]3CO)c2nc2n(CCc3ccc([N+](=O)[O-])cc3)ccn12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 9/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ NT5E P21589 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL21264072 0.80 SLC29A1 (0.36) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL20691330 0.77 SLC29A1 (0.35) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL21263988 0.75 TRDMT1 (0.33) NT5E
SCHEMBL21263864 0.72 SLC29A1 (0.56) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL21264012 0.71 SLC29A1 (0.46) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL20691306 0.71 SLC29A1 (0.33) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL21263857 0.70 LMNA (0.41) SLC29A1CYP3A4NT5ELMNARAB9A
SCHEMBL24258589 0.70 SLC29A1 (0.39) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL24444063 0.70 STING1 (0.41) —
SCHEMBL29471805 0.69 LMNA (0.51) SLC29A1CYP3A4TP53HIF1ANT5E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — 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 (1 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-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 SLC29A1 537/4885CYP3A4 3633/4885TP53 95/4885

“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.

Send feedback