SCHEMBL21137434

SCHEMBL21137434

CC(C)n1cnc2c1N=CNC2N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21347418 0.82 MEN1 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL19660823 0.81 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL22434688 0.78 — —
SCHEMBL17188925 0.78 — —
SCHEMBL22434785 0.74 ADORA2A (0.32) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21871809 0.74 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24499630 0.74 ADORA2A (0.35) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22326732 0.73 ADORA2A (0.34) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23619303 0.73 CDK1 (0.33) CDK1CCNB1CCNE1CDK2
SCHEMBL22326759 0.71 — —

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
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I (CZ) 2022-05-26 — — US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 — — US disclosed
US-10875880-B2 Processes for preparing oligomers SAREPTA THERAPEUTICS, INC. (US) 2020-12-29 — — US disclosed
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 — — US disclosed
US-20200040020-A1 PROCESSES FOR PREPARING OLIGOMERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-02-06 — — US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 — — 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 (7 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA2A 64/4885ADORA1 32/4885ADORA2B 132/4885
US-20200040020-A1 PROCESSES FOR PREPARING OLIGOMERS NOP2, PCBP1, RNGTT ADORA2A 4356/4885ADORA1 4299/4885ADORA2B 4345/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ADORA2A 317/4885ADORA1 407/4885ADORA2B 621/4885
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR STING1, MAVS, CGAS ADORA2A 652/4885ADORA1 1736/4885ADORA2B 1765/4885
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP ADORA2A 1318/4885ADORA1 1740/4885ADORA2B 1933/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ADORA2A 317/4885ADORA1 407/4885ADORA2B 621/4885
US-10875880-B2 Processes for preparing oligomers NOP2, PCBP1, RNGTT ADORA2A 4356/4885ADORA1 4299/4885ADORA2B 4345/4885

“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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