SCHEMBL21620360

SCHEMBL21620360

NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)cnc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.42
▸ ADORA2A P29274 1/20 0.38
▸ HPGDS O60760 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PSMD14 O00487 1/20 0.33
▸ STAMBP O95630 1/20 0.33
▸ COPS5 Q92905 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
Bromide SCHEMBL21616426 0.99 STING1 (0.41) STING1ADORA2AHPGDSNNMTSMN1; SMN2
SCHEMBL27204002 0.89 STING1 (0.41) STING1ADORA2AKMT2A
SCHEMBL27207460 0.89 STING1 (0.41) STING1ADORA2AKMT2A
SCHEMBL21620363 0.89 STING1 (0.39) STING1ADORA2AHPGDS
SCHEMBL28752004 0.89 STING1 (0.42) STING1ADORA2A
SCHEMBL29689171 0.89 STING1 (0.42) STING1ADORA2A
SCHEMBL28752005 0.89 STING1 (0.42) STING1ADORA2A
SCHEMBL21630047 0.84 KDM4E (0.41) STING1ADORA2APSMD14
SCHEMBL21616395 0.83 STING1 (0.47) STING1ADORA2A
SCHEMBL21620380 0.82 DRD3 (0.39) STING1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4007758-A1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER Mersana Therapeutics, Inc. (US) 2022-06-08 — — EP disclosed
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
US-20200031825-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS TRILLIUM THERAPEUTICS INC. (CA) 2020-01-30 — — US disclosed
WO-2020010451-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS TRILLIUM THERAPEUTICS INC. (CA) 2020-01-16 — — WO 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-20200031825-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS STING1, MAVS, IRF3 STING1 1/4885ADORA2A 1384/4885HPGDS 126/4885
US-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS STING1 1/4885ADORA2A 267/4885HPGDS 226/4885
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS STING1 1/4885ADORA2A 267/4885HPGDS 226/4885

“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.

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