SCHEMBL22326756

SCHEMBL22326756

CC(N)n1cnc2c(N(C)C)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL754049 0.87 ADORA2A (0.60) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL21539317 0.83 CYP1A2 (0.51) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL21943154 0.81 ADORA2A (0.64) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL22399739 0.81 CYP1A2 (0.52) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL24205121 0.78 ADORA2A (0.77) CYP1A2ADORA2AADORA2BADORA1PI4KA
SCHEMBL18521145 0.78 ADORA2A (0.77) CYP1A2ADORA2AADORA2BADORA1PI4KA
SCHEMBL22399292 0.78 ADORA2A (0.53) CYP1A2ADORA2AADORA2BADORA1PI4KA
SCHEMBL6364457 0.77 ADORA2A (0.61) CYP1A2CYP2D6MAPK1ADORA2AADORA2B
SCHEMBL24409387 0.77 ADORA2A (0.51) CYP1A2ADORA2AADORA2BADORA1PI4KA
SCHEMBL21539218 0.77 ADORA2A (0.51) CYP1A2ADORA2AADORA2BADORA1PI4KA

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
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 (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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CYP1A2 1485/4885CYP2D6 2541/4885MAPK1 1162/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 CYP1A2 1468/4885CYP2D6 2515/4885MAPK1 1305/4885

“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.