SCHEMBL25812000

SCHEMBL25812000

O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c2nccn12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
DNMT1 P26358 1/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TK1 P04183 2/20 0.45
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
ALOX12 P18054 1/20 0.42
ADRA1A P35348 1/20 0.42
HIF1A Q16665 1/20 0.42
TK2 O00142 1/20 0.42

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
SCHEMBL30492226 0.84 ADRB1 (0.51) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL23619249 0.80 POLB (0.37) ADRB1DNMT1TK2
SCHEMBL22577616 0.78 MAPT (0.57) DNMT1LMNASMN1; SMN2
SCHEMBL22080061 0.78 ABL1 (0.45) LMNAPIM1
SCHEMBL25813255 0.78 ABL1 (0.45) LMNAPIM1
SCHEMBL22992579 0.78 TK1 (0.48) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL4810094 0.78 TK1 (0.51) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL24420515 0.78 TK1 (0.48) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL24420755 0.78 TK1 (0.48) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL16348682 0.78 TK1 (0.48) ADRB1DNMT1LMNASMN1; SMN2TK1

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADRB1 583/4885DNMT1 2668/4885LMNA 1653/4885

“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.