SCHEMBL21362231

SCHEMBL21362231

Cn1cnc2c(=O)n3cc[nH]c3nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.36
▸ YTHDC1 Q96MU7 2/20 0.35
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TAF1 P21675 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CECR2 Q9BXF3 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23619277 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21372042 0.81 PI4KA (0.37) —
SCHEMBL21871805 0.81 CDK1 (0.42) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL24239251 0.81 — —
SCHEMBL23619288 0.81 CDK1 (0.42) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL24239248 0.79 — —
SCHEMBL23619312 0.79 CDK1 (0.35) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL23619483 0.78 — —
SCHEMBL24236934 0.74 BRD9 (0.39) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL24258540 0.73 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1

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
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US disclosed
WO-2020117624-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 — — 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CDK1 1477/4885YTHDC1 1124/4885CCNB1 2831/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK1 1534/4885YTHDC1 930/4885CCNB1 2787/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CDK1 1484/4885YTHDC1 1082/4885CCNB1 2785/4885

“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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