SCHEMBL21877976

SCHEMBL21877976

CC(C)(C)[Si](C)(C)OCCn1c(COCc2ccccc2)nc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.54
ADORA2A P29274 7/20 0.44
ADORA1 P30542 6/20 0.44
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 4/20 0.43
ADORA3 P0DMS8 4/20 0.42
ADORA2B P29275 3/20 0.42
HSPA5 P11021 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL21878182 0.88 FBP1 (0.41) FBP1ADORA2AADORA1KMT2A
SCHEMBL21877957 0.81 FBP1 (0.42) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL987114 0.77 ADORA2A (0.62) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21878072 0.72 ALDH1A1 (0.40) FBP1ADORA2AKMT2A
SCHEMBL982883 0.71 HSPA5 (0.40) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL30366879 0.71 VCP (0.37) KMT2AMAPK1
SCHEMBL2751787 0.69 TLR8 (0.54) KMT2A
SCHEMBL5376477 0.69 FBP1 (0.76) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL21877980 0.68 ADORA3 (0.43) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5358021 0.67 ADORA2A (0.69) FBP1ADORA2AADORA1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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 (3 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 FBP1 3836/4885ADORA2A 283/4885ADORA1 71/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS FBP1 3653/4885ADORA2A 342/4885ADORA1 77/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS FBP1 3622/4885ADORA2A 267/4885ADORA1 58/4885

“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.