SCHEMBL22326779

SCHEMBL22326779

Nn1cnc2c(=O)[nH]ncc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 1/20 0.33
PARP1 P09874 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2A P29274 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
XDH P47989 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23679501 0.78 SLC2A1 (0.33) ALDH1A1SLC2A1PARP1PRKCIPDE4B
SCHEMBL8043797 0.78 GDA (0.36) ALDH1A1SLC2A1PARP1PRKCIPDE4B
SCHEMBL23619294 0.77 LMNA (0.32) SLC2A1LMNATSHRADORA2ASLC6A4
SCHEMBL22883503 0.75 SLC2A1 (0.33) SLC2A1
SCHEMBL23867234 0.75
SCHEMBL21637050 0.74 TDP1 (0.37) ALDH1A1SLC2A1TDP1LMNA
SCHEMBL20325366 0.74 ADORA2A (0.36) PDE4BPOLBADORA2ARAB9ASMN1; SMN2
SCHEMBL18520821 0.74 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1SLC2A1PDE4BADORA2A
SCHEMBL24222066 0.69
SCHEMBL24239185 0.69 PNP (0.46) ALDH1A1THRBL3MBTL1HSD17B10TSHR

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ALDH1A1 4323/4885THRB 2758/4885L3MBTL1 2147/4885

“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.