SCHEMBL24239183

SCHEMBL24239183

CSc1ncnc2c1ncn2N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 1/20 0.54
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 6/20 0.38
ADORA1 P30542 5/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PI4KA P42356 5/20 0.35
PI4K2B Q8TCG2 5/20 0.35
PI4K2A Q9BTU6 5/20 0.35
PI4KB Q9UBF8 5/20 0.35
ADORA2B P29275 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL6426384 0.79 CYP1A2 (0.59) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL26348815 0.78 CYP1A2 (0.54) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL18521260 0.76 CYP1A2 (0.49) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL6363954 0.75 ADORA2A (0.60) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL23228237 0.75 CYP1A2 (0.72) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL12194505 0.75 PI4KA (0.60) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL320849 0.75 ADORA2A (0.41) CYP1A2ADORA2AADORA1PI4KAPI4K2B
SCHEMBL22399500 0.74 ADORA2A (0.42) CYP1A2TSHRADORA2AADORA1PI4KA
SCHEMBL22326711 0.73 CYP1A2 (0.49) CYP1A2TSHRTP53SMN1; SMN2ADORA2A
SCHEMBL667204 0.72 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 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 (2 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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CYP1A2 1793/4885TSHR 2059/4885TP53 4413/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 CYP1A2 4630/4885TSHR 3172/4885TP53 141/4885

“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.