SCHEMBL21451434

SCHEMBL21451434

CCn1cnc2c(N)nc(F)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.71
▸ CCNB1 P14635 2/20 0.71
▸ CCNE1 P24864 2/20 0.71
▸ CDK2 P24941 2/20 0.71
▸ ADORA2A P29274 6/20 0.58
▸ ADORA1 P30542 5/20 0.58
▸ PI4KA P42356 2/20 0.58
▸ PI4K2B Q8TCG2 2/20 0.58
▸ PI4K2A Q9BTU6 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.58
▸ ADORA2B P29275 3/20 0.50
▸ TMIGD3 P0DMS9 2/20 0.50
▸ AHCY P23526 3/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NT5E P21589 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL24980488 0.87 ADORA2A (0.60) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21128125 0.83 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL8767031 0.83 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12724436 0.83 CDK1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5161756 0.81 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL15354451 0.81 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL21504451 0.81 CCNE1 (0.46) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3440998 0.80 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL26349135 0.80 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5999274 0.80 CDK1 (0.45) CDK1CCNB1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 — — US disclosed
US-20210403501-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 SHANGHAI XINQI WU FILM AND TELEVISION INVESTMENT CO., LTD. (CN) 2021-12-30 — — US disclosed
CN-110461858-A Acyl nucleosides phosphonate ester, its prodrug and its purposes as drug UNIV MONTPELLIER 2019-11-15 — — CN disclosed
WO-2019193533-A1 2'2'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 — — WO 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 CDK1 231/4885CCNB1 764/4885CCNE1 920/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK1 1548/4885CCNB1 2850/4885CCNE1 2505/4885
US-20210403501-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 PHKA1, PHKA2, PRKCA CDK1 114/4885CCNB1 634/4885CCNE1 786/4885

“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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