SCHEMBL21630047

SCHEMBL21630047

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ GRK6 P43250 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ STING1 Q86WV6 2/20 0.38
▸ TLR7 Q9NYK1 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ CSNK2A1 P68400 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
SCHEMBL21620360 0.84 STING1 (0.42) STING1PSMD14ADORA2A
Bromide SCHEMBL21616426 0.83 STING1 (0.41) STING1ADORA2A
SCHEMBL22121391 0.81 KDM4E (0.60) KDM4EALDH1A1TSHRHSD17B10TLR7
SCHEMBL21620363 0.78 STING1 (0.39) STING1ADORA2A
SCHEMBL22151665 0.77 KDM4E (0.55) KDM4EADORA2APTGER4
SCHEMBL21616395 0.77 STING1 (0.47) STING1CYP2C9CYP2C19ADORA2A
SCHEMBL29692152 0.75 BRD4 (0.46) STING1CYP2C9CYP2C19
SCHEMBL28752004 0.75 STING1 (0.42) STING1ADORA2A
SCHEMBL28752005 0.75 STING1 (0.42) STING1ADORA2A
SCHEMBL29689171 0.75 STING1 (0.42) 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 2 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

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 KDM4E 3634/4885GRK6 601/4885ALDH1A1 4584/4885

“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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