SCHEMBL22124572

SCHEMBL22124572

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCCNCCCN

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.36
▸ SYK P43405 5/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ ZAP70 P43403 2/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ AXL P30530 2/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ PTK2 Q05397 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KARS1 Q15046 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
SCHEMBL30350008 1.00 TTK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL30349860 0.98 SYK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL22124546 0.98 SYK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL22124884 0.97 TTK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL22123309 0.97 TTK (0.38) TTKSYKLRRK2ZAP70MAPKAPK5
Hydrochloric Acid SCHEMBL30171938 0.96 TTK (0.37) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL30177732 0.96 TTK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL22123307 0.96 TTK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL22160344 0.95 SYK (0.37) TTKSYKLRRK2ZAP70MAPKAPK5
SCHEMBL30171885 0.94 TTK (0.36) TTKSYKLRRK2ZAP70MAPKAPK5

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 9 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
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US 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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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
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 TTK 4573/4885SYK 939/4885LRRK2 2249/4885

“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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