SCHEMBL22399264

SCHEMBL22399264

NNn1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.56
ADORA1 P30542 8/20 0.56
PI4KA P42356 10/20 0.51
PI4K2B Q8TCG2 10/20 0.51
PI4K2A Q9BTU6 10/20 0.51
PI4KB Q9UBF8 10/20 0.51
ADORA2B P29275 4/20 0.51
EGFR P00533 1/20 0.49
AHCY P23526 3/20 0.47
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL9120 0.83 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20208091 0.80 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21127807 0.79 ADORA2A (0.34) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22326706 0.79 FDPS (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL18521272 0.79 ADORA2A (0.34) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004916 0.79 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL48453 0.79 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28004601 0.79 ADORA2A (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9621206 0.78 GSK3B (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28601746 0.78 ADORA2A (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219717-A2 EXON SKIPPING OLIGOMERS FOR MUSCULAR DYSTROPHY Sarepta Therapeutics, Inc. (US) 2023-08-02 EP disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
EP-4115908-A1 EXON SKIPPING OLIGOMER CONJUGATES FOR MUSCULAR DYSTROPHY Sarepta Therapeutics, Inc. (US) 2023-01-11 EP disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
CN-104513241-B New regadenoson intermediate, preparation method and application thereof 浙江海正药业股份有限公司 2017-02-08 CN disclosed
CN-104513241-A New regadenoson intermediate, preparation method and application thereof ZHEJIANG HISUN PHARM CO LTD 2015-04-15 CN 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885PI4KA 2825/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA2A 73/4885ADORA1 32/4885PI4KA 2270/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885PI4KA 2825/4885

“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.