SCHEMBL21137280

SCHEMBL21137280

NCn1cnc2c(N)nc(N)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.72
CDK2 P24941 5/20 0.72
CDK1 P06493 4/20 0.72
CCNB1 P14635 4/20 0.72
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
AHCY P23526 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 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
SCHEMBL24709725 0.85 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL27516653 0.84 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL8767031 0.84 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL22300666 0.84 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL23619320 0.82 CDK1 (0.60) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL4022228 0.82 CCNE1 (0.68) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL5023964 0.81 CCNE1 (0.66) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL1377647 0.81 CDK1 (0.76) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL4022224 0.81 CCNE1 (0.66) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL986731 0.81 CDK1 (0.66) 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 4 patents. 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-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 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 (4 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS CCNE1 4880/4885CDK2 4868/4885CDK1 4739/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CCNE1 4831/4885CDK2 4730/4885CDK1 4501/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS CCNE1 4831/4885CDK2 4730/4885CDK1 4501/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS CCNE1 4831/4885CDK2 4730/4885CDK1 4501/4885

“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.