Iodide

Iodide

SCHEMBL25170306

CCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)NCCOCC[N+](C)(C)C.[I-]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ TTK P33981 2/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL24112570 0.99 PTK6 (0.33) PTK6IRAK4TTK
Iodide SCHEMBL25169289 0.94 PTK6 (0.35) PTK6
SCHEMBL24112313 0.94 PTK6 (0.35) PTK6
SCHEMBL24112575 0.94 PTK6 (0.32) PTK6IRAK4TTK
SCHEMBL25450764 0.93 PTK6 (0.33) PTK6TTK
SCHEMBL22123385 0.92 TTK (0.33) PTK6IRAK4TTKCDK1CDK2
SCHEMBL30171576 0.92 MAPKAPK5 (0.33) PTK6IRAK4TTKCDK1CDK2
SCHEMBL22124583 0.92 MAPKAPK5 (0.33) PTK6IRAK4TTKCDK1CDK2
SCHEMBL25450706 0.91 PTK6 (0.35) PTK6TTK
SCHEMBL22124797 0.91 CDK2 (0.36) PTK6IRAK4TTKCDK1CDK2

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
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP claimed
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK PTK6 925/4885IRAK4 85/4885TTK 4336/4885

“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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