SCHEMBL20655271

SCHEMBL20655271

CC(C)(C)[Si](C)(C)OC1[C@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C@H]1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.66
POLB P06746 1/20 0.62
ADORA1 P30542 2/20 0.59
PI4KA P42356 2/20 0.59
PI4K2B Q8TCG2 2/20 0.59
PI4K2A Q9BTU6 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
ADORA2A P29274 2/20 0.59
DPP4 P27487 1/20 0.59
MEN1 O00255 1/20 0.59
SLC28A1 O00337 1/20 0.59
MAP3K7 O43318 1/20 0.59
SLC28A2 O43868 1/20 0.59
GAPDH P04406 1/20 0.59
MAPK1 P28482 1/20 0.59
ADORA2B P29275 1/20 0.59
STAT6 P42226 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DOT1L Q8TEK3 1/20 0.59

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
SCHEMBL21859152 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL30446694 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL22220139 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL22220276 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL21859283 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL13773257 0.92 ADORA3 (0.61) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL30671288 0.90 ADORA3 (0.68) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL7893460 0.90 ADORA3 (0.68) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL7893467 0.90 ADORA3 (0.68) ADORA3POLBADORA1PI4KAPI4K2B
SCHEMBL23025557 0.89 ADORA3 (0.51) ADORA3POLBADORA1PI4KAPI4K2B

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-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer INNATE TUMOR IMMUNITY, INC. (US) 2020-03-31 US disclosed
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER Innate Tumoir Immunity, Inc. (US) 2019-01-17 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-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer STING1, CGAS, IRF3 ADORA3 1014/4885POLB 25/4885ADORA1 1007/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 ADORA3 1014/4885POLB 25/4885ADORA1 1007/4885

“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.