SCHEMBL18521191

SCHEMBL18521191

CCOc1nc(N)nc2c1ncn2CC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.67
CDK2 P24941 4/20 0.67
CDK1 P06493 3/20 0.67
CCNB1 P14635 3/20 0.67
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
HSP90AA1 P07900 6/20 0.45
HSP90AB1 P08238 6/20 0.45
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
SLC29A1 Q99808 1/20 0.42
CYP2C19 P33261 1/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL22474871 0.88 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL20782336 0.88 CDK1 (0.58) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL17364319 0.88 CDK1 (0.67) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL5929994 0.83 CCNE1 (0.47) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL18521819 0.83 CDK1 (0.44) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL12522765 0.83 CDK1 (0.50) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL23247753 0.81 PNP (0.56) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL29767910 0.81 PNP (0.56) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL8767031 0.80 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL10643467 0.80 BLM (0.56) CCNE1CDK2CDK1CCNB1HSP90AA1

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-20230201236-A1 SPIROCYCLIC NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. 2023-06-29 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO 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 (5 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CCNE1 4880/4885CDK2 4868/4885CDK1 4739/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CCNE1 2444/4885CDK2 3858/4885CDK1 1534/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS CCNE1 4880/4885CDK2 4868/4885CDK1 4739/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CCNE1 2421/4885CDK2 3890/4885CDK1 1642/4885
US-20230201236-A1 SPIROCYCLIC NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF HEPATITIS E HAVCR2, NME2, SLC10A1 CCNE1 574/4885CDK2 1374/4885CDK1 2652/4885

“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.