SCHEMBL21137166

SCHEMBL21137166

CCC(C)n1cc(F)c2c(=O)[nH]cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
MAPT P10636 5/20 0.36
ADORA2A P29274 5/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
SRC P12931 1/20 0.35
ADORA2B P29275 4/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA1 P30542 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPRT1 P00492 1/20 0.33

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
SCHEMBL23228137 0.87 PARP1 (0.38) PARP1MAPTADORA2APDE4APDE4B
SCHEMBL21137207 0.87 SMN1; SMN2 (0.38) PARP1MAPTADORA2APDE4APDE4B
SCHEMBL20224910 0.85 PARP1 (0.41) PARP1MAPTSRCADORA2BALDH1A1
SCHEMBL25809396 0.83 PARP1 (0.39) PARP1MAPTSRCADORA2BALDH1A1
SCHEMBL21137719 0.79 ADORA2B (0.38) PARP1MAPTADORA2APDE4APDE4B
SCHEMBL20224903 0.77 ADORA2A (0.41) PARP1MAPTADORA2APDE4APDE4B
SCHEMBL21758960 0.74 ADORA2A (0.55) ADORA2ASRCADORA2BADORA1ADORA3
SCHEMBL20224829 0.74 PARP1 (0.44) PARP1MAPTADORA2APDE4APDE4B
SCHEMBL21625880 0.72 ADORA2A (0.56) ADORA2AADORA2BADORA1LMNAHPRT1
SCHEMBL21137169 0.71 PARP1 (0.44) PARP1MAPTSRCALDH1A1LMNA

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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 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 (6 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 PARP1 103/4885MAPT 3853/4885ADORA2A 385/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS PARP1 103/4885MAPT 3853/4885ADORA2A 385/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS PARP1 153/4885MAPT 4699/4885ADORA2A 317/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS PARP1 153/4885MAPT 4699/4885ADORA2A 317/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS PARP1 153/4885MAPT 4699/4885ADORA2A 317/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS PARP1 103/4885MAPT 3853/4885ADORA2A 385/4885

“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.