SCHEMBL18510350

SCHEMBL18510350

CC(C)n1cnc2c(NCCO)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 14/20 0.71
▸ CCNB1 P14635 13/20 0.71
▸ CCNB2 O95067 11/20 0.71
▸ CCNB3 Q8WWL7 11/20 0.71
▸ CDK2 P24941 5/20 0.62
▸ HTT P42858 1/20 0.54
▸ CSNK1D P48730 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ HIPK4 Q8NE63 1/20 0.53
▸ SRPK1 Q96SB4 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ CSNK1A1 P48729 1/20 0.52
▸ CDK7 P50613 1/20 0.52
▸ CCNH P51946 1/20 0.52
▸ MNAT1 P51948 1/20 0.52
▸ ADORA2A P29274 1/20 0.51

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
SCHEMBL21137281 0.89 CDK1 (0.57) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL21943153 0.89 CDK1 (0.61) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL18521194 0.87 CCNB2 (0.82) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL26354839 0.84 CDK1 (0.72) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL26354422 0.82 CDK1 (0.69) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL16707340 0.82 CDK1 (0.67) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL18520056 0.81 YTHDC1 (0.61) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL756298 0.79 YTHDC1 (0.62) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL22326729 0.78 ADORA2A (0.66) CDK1CCNB1CCNB2CCNB3HTT
SCHEMBL18520987 0.78 HTT (0.58) CDK1CCNB1CCNB2CCNB3HTT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 — — US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 — — US disclosed
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 — — EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 — — US disclosed
US-11376272-B2 Methods of modulating immune activity FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-07-05 — — US disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO 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
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 — — US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — US disclosed
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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 (11 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-11376272-B2 Methods of modulating immune activity STING1, IRF3, CGAS CDK1 3267/4885CCNB1 4583/4885CCNB2 4689/4885
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CDK1 4739/4885CCNB1 4816/4885CCNB2 4833/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CDK1 1484/4885CCNB1 2785/4885CCNB2 2890/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS CDK1 4739/4885CCNB1 4816/4885CCNB2 4833/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CDK1 2009/4885CCNB1 4422/4885CCNB2 4521/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK1 1642/4885CCNB1 2975/4885CCNB2 2974/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS CDK1 2787/4885CCNB1 3587/4885CCNB2 3315/4885
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK1 1465/4885CCNB1 2798/4885CCNB2 2879/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 CDK1 4386/4885CCNB1 4738/4885CCNB2 4657/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CDK1 1503/4885CCNB1 3518/4885CCNB2 3381/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK1 1548/4885CCNB1 2850/4885CCNB2 3027/4885

“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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