SCHEMBL23619296

SCHEMBL23619296

CCCC(C)n1cnc2c(=O)[nH]cnc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.46
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
SLC29A1 Q99808 1/20 0.40
PNP P00491 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21385659 0.89 ADA (0.46) HPRT1PNPLMNA
SCHEMBL21625880 0.88 ADORA2A (0.56) HPRT1ADORA2AADORA2BADORA1PNP
SCHEMBL7812368 0.84 HPRT1 (0.47) HPRT1PNPLMNA
SCHEMBL11243652 0.84 HPRT1 (0.49) HPRT1PNPLMNA
SCHEMBL784333 0.82 ADORA2A (0.51) HPRT1ADORA2AADORA2BADORA1PNP
SCHEMBL21385661 0.81 HPRT1 (0.55) HPRT1PNPMEN1LMNAKMT2A
SCHEMBL20681481 0.80 HPRT1 (0.49) HPRT1ADORA2BPNPLMNA
SCHEMBL18877201 0.80 HPRT1 (0.49) HPRT1ADORA2BPNPLMNA
SCHEMBL18479940 0.80 HPRT1 (0.52) HPRT1SLC29A1PNPMEN1LMNA
SCHEMBL22364035 0.80 HPRT1 (0.49) HPRT1ADORA2BPNPLMNA

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-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEONE MEDICINES I GMBH (CH) 2022-08-11 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 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 (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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 HPRT1 266/4885ADORA2A 70/4885ADORA2B 148/4885
US-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS HPRT1 110/4885ADORA2A 122/4885ADORA2B 544/4885

“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.