SCHEMBL21616424

SCHEMBL21616424

NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.41
▸ TGM2 P21980 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PLAU P00749 2/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21620380 0.88 DRD3 (0.39) STING1ADORA2AHDAC1MAPKAPK2
SCHEMBL27207460 0.84 STING1 (0.41) STING1ADORA2A
SCHEMBL27204002 0.84 STING1 (0.41) STING1ADORA2A
SCHEMBL21616436 0.84 STING1 (0.51) STING1TGM2ADORA2A
SCHEMBL21616395 0.82 STING1 (0.47) STING1ADORA2A
SCHEMBL21620360 0.81 STING1 (0.42) STING1ADORA2ASMN1; SMN2
SCHEMBL21616430 0.80 STING1 (0.64) STING1
Bromide SCHEMBL21616426 0.80 STING1 (0.41) STING1ADORA2ASMN1; SMN2
SCHEMBL21620363 0.78 STING1 (0.39) STING1ADORA2A
SCHEMBL21616386 0.76 HDAC1 (0.41) TGM2HDAC1HDAC3HDAC2PLAU

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-20200031825-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS TRILLIUM THERAPEUTICS INC. (CA) 2020-01-30 — — 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
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 (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-20200031825-A1 HETEROAROMATIC-FUSED IMIDAZOLYL AMIDES, COMPOSITIONS AND USES THEREOF AS STING AGONISTS STING1, MAVS, IRF3 STING1 1/4885TGM2 2149/4885ADORA2A 1384/4885

“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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