SCHEMBL22399280

SCHEMBL22399280

CN(C)c1ncnc2c1ncn2CN

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76
MAPK1 P28482 1/20 0.76
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ADORA2B P29275 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL12498653 0.85 CYP1A2 (0.78) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL27943333 0.83 CYP1A2 (0.76) CYP1A2CYP2D6MAPK1ADORA2AADORA1
Hydrochloric Acid SCHEMBL8466597 0.81 CYP1A2 (0.71) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL24236919 0.81 CYP1A2 (0.71) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL5015543 0.81 CYP1A2 (0.82) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL14924510 0.81 CYP1A2 (0.82) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL934365 0.80 CYP1A2 (0.69) CYP1A2CYP2D6MAPK1ADORA2ASMN1; SMN2
SCHEMBL8464098 0.77 CYP1A2 (0.75) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL14203129 0.77 CYP1A2 (0.75) CYP1A2CYP2D6MAPK1ADORA2AADORA1
SCHEMBL12941024 0.76 CYP1A2 (0.64) CYP1A2CYP2D6MAPK1LMNASMN1; SMN2

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 3 patents. 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
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
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 (3 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 CYP1A2 1485/4885CYP2D6 2541/4885MAPK1 1162/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CYP1A2 1793/4885CYP2D6 2780/4885MAPK1 1145/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CYP1A2 1764/4885CYP2D6 3015/4885MAPK1 1274/4885

“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.