SCHEMBL21625880

SCHEMBL21625880

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ HPRT1 P00492 12/20 0.48
▸ PNP P00491 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL23619296 0.88 HPRT1 (0.46) ADORA2AADORA2BADORA1HPRT1PNP
SCHEMBL11243652 0.87 HPRT1 (0.49) HPRT1PNPLMNA
SCHEMBL21385661 0.86 HPRT1 (0.55) HPRT1PNPMEN1LMNAKMT2A
SCHEMBL784333 0.84 ADORA2A (0.51) ADORA2AADORA2BADORA1HPRT1PNP
SCHEMBL21385659 0.84 ADA (0.46) HPRT1PNPLMNA
SCHEMBL11243638 0.84 HPRT1 (0.49) HPRT1PNPLMNA
SCHEMBL21417461 0.81 HPRT1 (0.50) HPRT1PNPMEN1LMNAKMT2A
SCHEMBL21127932 0.81 HPRT1 (0.47) ADORA2AADORA2BADORA1HPRT1PNP
SCHEMBL13650205 0.80 HPRT1 (0.43) HPRT1PNPLMNA
SCHEMBL23228187 0.79 HPRT1 (0.45) HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143061-A1 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-12 — — US disclosed
US-11021509-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2021-06-01 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20200024297-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2020-01-23 — — 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 (4 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-20200024297-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885ADORA1 82/4885
US-11021509-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885ADORA1 82/4885
US-20220143061-A1 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, IRF3 ADORA2A 225/4885ADORA2B 241/4885ADORA1 247/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA2B 2261/4885ADORA1 1640/4885

“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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