SCHEMBL23228166

SCHEMBL23228166

CC(C)c1nnc2c(=O)[nH]cnn12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NR1H2 P55055 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
SCHEMBL19476925 0.70 NR1H2 (0.36) NR1H2
SCHEMBL22399904 0.66 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20755921 0.66 BRD4 (0.33) ALDH1A1NR1H2
SCHEMBL18520816 0.64 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18510373 0.63 GABRA1 (0.35)
SCHEMBL20756060 0.63 ADORA2A (0.34)
SCHEMBL22326777 0.61 ALDH1A1 (0.39) ALDH1A1NR1H2
SCHEMBL22349704 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22547338 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21137236 0.60 ADORA3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 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 (2 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 ALDH1A1 3598/4885NR1H2 3044/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS ALDH1A1 3598/4885NR1H2 3044/4885

“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.