SCHEMBL22326732

SCHEMBL22326732

CC(C)n1cnc2c1N=C(N)NC2N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23476158 0.83 ADORA2A (0.33) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23641729 0.74 CDK1 (0.31) CDK1CDK2
SCHEMBL21137434 0.73 ADORA2A (0.32) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24499630 0.73 ADORA2A (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21011188 0.72 DHFR (0.37) CDK1CCNB1CDK2
SCHEMBL23641712 0.67 ADORA2A (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18782599 0.66 ADORA2A (0.34) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24222091 0.62 — —
SCHEMBL12049920 0.62 ADA (0.31) —
SCHEMBL21347418 0.61 MEN1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 — — US disclosed
US-11578094-B2 Charge-tagged nucleotides and methods of use thereof ILLUMINA, INC. (US) 2023-02-14 — — US disclosed
US-11491238-B2 Exon skipping oligomer conjugates for muscular dystrophy SAREPTA THERAPEUTICS, INC. (US) 2022-11-08 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
US-20210138078-A1 EXON SKIPPING OLIGOMER CONJUGATES FOR MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. (US) 2021-05-13 — — 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 (6 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 ADORA2A 70/4885ADORA1 34/4885ADORA2B 148/4885
US-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 ADORA2A 248/4885ADORA1 461/4885ADORA2B 163/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA2A 72/4885ADORA1 36/4885ADORA2B 150/4885
US-11491238-B2 Exon skipping oligomer conjugates for muscular dystrophy UTRN, SMN1; SMN2, RBM17 ADORA2A 3614/4885ADORA1 4346/4885ADORA2B 2904/4885
US-11578094-B2 Charge-tagged nucleotides and methods of use thereof POLN, POLRMT, POLM ADORA2A 3662/4885ADORA1 3209/4885ADORA2B 3109/4885
US-20210138078-A1 EXON SKIPPING OLIGOMER CONJUGATES FOR MUSCULAR DYSTROPHY UTRN, SMN1; SMN2, RBM17 ADORA2A 3614/4885ADORA1 4346/4885ADORA2B 2904/4885

“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.

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