SCHEMBL22124811

SCHEMBL22124811

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.39
▸ TTK P33981 3/20 0.39
▸ BRAF P15056 2/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ IDO1 P14902 4/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ BRD4 O60885 4/20 0.34
▸ BRDT Q58F21 4/20 0.34
▸ SYK P43405 1/20 0.33

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
SCHEMBL22142794 0.94 TTK (0.40) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22124702 0.94 TTK (0.40) PTK6TTKBRAFMAPKAPK5IDO1
Hydrochloric Acid SCHEMBL30171637 0.93 TTK (0.40) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22123704 0.93 TTK (0.42) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22124783 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
Hydrochloric Acid SCHEMBL30171525 0.92 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22122965 0.91 TTK (0.41) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL22124815 0.91 TTK (0.39) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL24870788 0.91 TTK (0.40) PTK6TTKBRAFMAPKAPK5IDO1
SCHEMBL30171958 0.91 TTK (0.40) PTK6TTKBRAFMAPKAPK5IDO1

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 7 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
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
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 2141/4885TTK 4573/4885BRAF 955/4885

“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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