SCHEMBL25813255

SCHEMBL25813255

O=c1ccn(C2CCC(CO)O2)c2nccn12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
LMNA P02545 3/20 0.45
ALB P02768 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 1/20 0.34
CACNA1F O60840 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
PDE3A Q14432 2/20 0.32
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL22080061 1.00 ABL1 (0.45) ABL1RIN1LMNAALBALDH1A1
SCHEMBL25812000 0.78 ADRB1 (0.50) LMNAPIM1
SCHEMBL6632471 0.76 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL5013964 0.76 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL23797137 0.76 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6330943 0.74 ABL1 (0.44) ABL1RIN1LMNAALBALDH1A1
SCHEMBL9126585 0.74 LMNA (0.44) ABL1RIN1LMNAALBALDH1A1
SCHEMBL9128298 0.74 ABL1 (0.42) ABL1RIN1LMNAALBALDH1A1
SCHEMBL9128296 0.74 ABL1 (0.42) ABL1RIN1LMNAALBALDH1A1
SCHEMBL9126590 0.74 LMNA (0.44) ABL1RIN1LMNAALBALDH1A1

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 ABL1 3704/4885RIN1 249/4885LMNA 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.