SCHEMBL22125075

SCHEMBL22125075

CN(CCOCCN1CCNCC1)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.51
▸ LCK P06239 8/20 0.41
▸ AURKB Q96GD4 6/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.36

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
SCHEMBL30171974 0.94 PTK6 (0.54) PTK6LCKAURKBMAPKAPK5
SCHEMBL22160932 0.94 PTK6 (0.54) PTK6LCKAURKBMAPKAPK5
SCHEMBL22124838 0.93 PTK6 (0.44) PTK6LCKAURKBMAPKAPK5
SCHEMBL22123813 0.88 PTK6 (0.46) PTK6LCKAURKBMAPKAPK5
SCHEMBL30349800 0.88 PTK6 (0.51) PTK6LCKAURKBMAPKAPK5
SCHEMBL22124665 0.88 PTK6 (0.51) PTK6LCKAURKBMAPKAPK5
SCHEMBL22123719 0.87 PTK6 (0.46) PTK6LCKAURKBMAPKAPK5
SCHEMBL22125537 0.87 PTK6 (0.46) PTK6LCKAURKBMAPKAPK5
SCHEMBL24870826 0.86 PTK6 (0.50) PTK6LCKAURKB
Hydrochloric Acid SCHEMBL30171904 0.85 PTK6 (0.49) PTK6LCKAURKB

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-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
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
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885LCK 2521/4885AURKB 3352/4885

“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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