SCHEMBL22125090

SCHEMBL22125090

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCOCCN

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.39
▸ MAPKAPK5 Q8IW41 2/20 0.38
▸ PTK6 Q13882 1/20 0.37
▸ CDK2 P24941 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ ERBB2 P04626 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
SCHEMBL22123436 0.92 TTK (0.40) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL22124824 0.92 TTK (0.39) TTKMAPKAPK5PTK6AURKA
Hydrochloric Acid SCHEMBL30171881 0.91 TTK (0.39) TTKMAPKAPK5PTK6AURKA
SCHEMBL22139078 0.90 TTK (0.42) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL30171633 0.90 TTK (0.42) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL25446267 0.90 TTK (0.34) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL22124785 0.89 PTK6 (0.42) TTKMAPKAPK5PTK6AURKA
SCHEMBL22124838 0.88 PTK6 (0.44) TTKMAPKAPK5PTK6AURKA
SCHEMBL22124704 0.87 TTK (0.45) TTKMAPKAPK5PTK6
SCHEMBL22124779 0.87 TTK (0.44) TTKMAPKAPK5PTK6

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 6 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-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 4573/4885MAPKAPK5 695/4885PTK6 2141/4885

“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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