SCHEMBL22399485

SCHEMBL22399485

Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 9/20 0.71
DOT1L Q8TEK3 3/20 0.71
NPC1 O15118 1/20 0.71
GALR3 O60755 1/20 0.71
S1PR4 O95977 1/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.71
S1PR1 P21453 1/20 0.71
HTT P42858 1/20 0.71
RAB9A P51151 1/20 0.71
PAX8 Q06710 1/20 0.71
DPP4 P27487 1/20 0.62
MEN1 O00255 1/20 0.62
SLC28A1 O00337 1/20 0.62
MAP3K7 O43318 1/20 0.62
SLC28A2 O43868 1/20 0.62
GAPDH P04406 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MAPK1 P28482 1/20 0.62
ADORA2A P29274 1/20 0.62

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
SCHEMBL6509887 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419177 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL19402572 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419133 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419130 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL22381626 1.00 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL24837542 0.91 ADK (0.60) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL19402610 0.91 ADK (0.60) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL31725292 0.91 ADK (0.59) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL15948775 0.91 PRMT5 (0.60) ADKDOT1LNPC1GALR3S1PR4

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADK 471/4885DOT1L 4213/4885NPC1 3174/4885

“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.