SCHEMBL12825005

SCHEMBL12825005

CCc1nc(C)[nH]c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
HTT P42858 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
SCHEMBL13063108 0.83 ADORA3 (0.32) ADORA3ADORA1ADORA2AHTT
SCHEMBL12002419 0.78 ADORA1 (0.39) ADORA3ADORA1ADORA2AHTT
SCHEMBL14511646 0.72 ALDH1A1 (0.37) ADORA3
SCHEMBL5851367 0.72
SCHEMBL3703036 0.70 SMPD3 (0.39) ADORA3ADORA1ADORA2AHTT
SCHEMBL21719765 0.68 CSNK2A1 (0.32) ADORA3HTT
SCHEMBL21718556 0.68 CSNK2A1 (0.32) ADORA3
SCHEMBL21719296 0.68 ADORA3 (0.31) ADORA3
SCHEMBL1035879 0.68
SCHEMBL632155 0.68

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-11155567-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2021-02-04 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-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS ADORA3 900/4885ADORA1 1214/4885ADORA2A 267/4885
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS ADORA3 900/4885ADORA1 1214/4885ADORA2A 267/4885

“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.