SCHEMBL18520820

SCHEMBL18520820

NNn1c(F)nc2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.44
▸ ADORA1 P30542 14/20 0.44
▸ ADORA2B P29275 11/20 0.44
▸ PI4KA P42356 6/20 0.43
▸ PI4K2B Q8TCG2 6/20 0.43
▸ PI4K2A Q9BTU6 6/20 0.43
▸ PI4KB Q9UBF8 6/20 0.43
▸ ADORA3 P0DMS8 9/20 0.41

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
SCHEMBL22326710 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22326776 0.79 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22326770 0.77 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18520815 0.75 ADORA2A (0.64) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22571152 0.71 PI4KA (0.50) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18526490 0.71 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18510391 0.71 ADORA2A (0.67) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22381523 0.70 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24222092 0.69 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22571151 0.67 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 — — US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 — — US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885ADORA2B 827/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885ADORA2B 827/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA2A 73/4885ADORA1 32/4885ADORA2B 144/4885

“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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