SCHEMBL21469779

SCHEMBL21469779

CCCCCCCCn1cnc2c(N)ncnc21

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.88
ADORA1 P30542 3/20 0.77
ADORA2B P29275 1/20 0.77
ALDH1A1 P00352 1/20 0.76
PI4KA P42356 2/20 0.67
PI4K2B Q8TCG2 2/20 0.67
PI4K2A Q9BTU6 2/20 0.67
PI4KB Q9UBF8 2/20 0.67
ADCY5 O95622 3/20 0.62
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.57
ADCY1 Q08828 1/20 0.56
FGFR1 P11362 1/20 0.56

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
SCHEMBL9484927 1.00 ADORA2A (0.88) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL23228230 1.00 ADORA2A (0.88) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL1741560 1.00 ADORA2A (0.88) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL4551803 0.98 ADORA2A (0.91) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL28176129 0.97 ADORA2A (0.88) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL28228476 0.97 ADORA2A (0.88) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL1074972 0.94 ADORA2A (1.00) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL8252223 0.89 ADORA2A (0.75) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL8207464 0.89 ADORA2A (0.75) ADORA2AADORA1ADORA2BALDH1A1PI4KA
SCHEMBL29387721 0.87 ADORA2A (1.00) ADORA2AADORA1ADORA2BALDH1A1PI4KA

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-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-20210106606-A1 USE OF NAD PRECURSORS FOR IMPROVING MATERNAL HEALTH AND/OR OFFSPRING HEALTH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2021-04-15 US disclosed
US-10954257-B2 Prodrugs of glutamine analogs THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-23 US disclosed
US-20200385725-A1 UNA AMIDITES AND USES THEREOF Atrium Therapeutics, Inc. 2020-12-10 US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 US disclosed
US-20190315783-A1 PRODRUGS OF GLUTAMINE ANALOGS DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2019-10-17 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-20220143061-A1 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, IRF3 ADORA2A 225/4885ADORA1 247/4885ADORA2B 241/4885
US-20190315783-A1 PRODRUGS OF GLUTAMINE ANALOGS GLUL, GLS, GLS2 ADORA2A 1343/4885ADORA1 762/4885ADORA2B 1411/4885
US-20210106606-A1 USE OF NAD PRECURSORS FOR IMPROVING MATERNAL HEALTH AND/OR OFFSPRING HEALTH NQO1, NNT, SIRT3 ADORA2A 473/4885ADORA1 607/4885ADORA2B 557/4885
US-20200385725-A1 UNA AMIDITES AND USES THEREOF NCL, PNP, NASP ADORA2A 1151/4885ADORA1 1005/4885ADORA2B 842/4885
US-10954257-B2 Prodrugs of glutamine analogs GLUL, GLS, GLS2 ADORA2A 1343/4885ADORA1 762/4885ADORA2B 1411/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA1 1640/4885ADORA2B 2261/4885

“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.