SCHEMBL22124563

SCHEMBL22124563

CN(CCOCCN1CCCC(C(=O)O)C1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.36
▸ SLC6A1 P30531 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
SCHEMBL22124485 0.94 PTK6 (0.37) PTK6
SCHEMBL30402918 0.92 PTK6 (0.39) PTK6
SCHEMBL30171867 0.83 PTK6 (0.47) PTK6
SCHEMBL22123725 0.83 PTK6 (0.47) PTK6
SCHEMBL22124614 0.83 PTK6 (0.46) PTK6
SCHEMBL25176442 0.83 PTK6 (0.40) PTK6
Iodide SCHEMBL28982230 0.82 PTK6 (0.39) PTK6
SCHEMBL24112356 0.82 PTK6 (0.38) PTK6
SCHEMBL24112330 0.82 PTK6 (0.39) PTK6
SCHEMBL30386185 0.82 PTK6 (0.40) PTK6

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-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885SLC6A1 2540/4885

“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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