SCHEMBL29973013

SCHEMBL29973013

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.58
PI4KA P42356 2/20 0.58
PI4K2B Q8TCG2 2/20 0.58
PI4K2A Q9BTU6 2/20 0.58
PI4KB Q9UBF8 2/20 0.58
ADORA1 P30542 2/20 0.58
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58
MAP3K7 O43318 1/20 0.58
SLC28A2 O43868 1/20 0.58
GAPDH P04406 1/20 0.58
MAPK1 P28482 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
STAT6 P42226 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DOT1L Q8TEK3 1/20 0.58
SLC29A1 Q99808 1/20 0.58

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
SCHEMBL25389125 1.00 ADORA3 (0.58) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL19590291 1.00 ADORA3 (0.58) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL24377184 1.00 ADORA3 (0.58) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL22220139 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL21859152 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL30446694 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL22220276 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL21859283 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL13773257 0.91 ADORA3 (0.61) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL24377429 0.89 NT5E (0.49) ADORA3PI4KAPI4K2BPI4K2API4KB

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-20240059729-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-02-22 US disclosed
CN-117015383-A Multifunctional cyclic dinucleotide and application thereof 泰励生物科技(上海)有限公司 2023-11-07 CN disclosed
EP-4242218-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
CN-115160392-A Multifunctional cyclic dinucleotide and application thereof 泰励生物科技(上海)有限公司 2022-10-11 CN 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 (1 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-20240059729-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF MAVS, IRF3, STING1 ADORA3 1021/4885PI4KA 1780/4885PI4K2B 1473/4885

“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.