SCHEMBL22123436

SCHEMBL22123436

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ PTK6 Q13882 1/20 0.38
▸ CDK2 P24941 1/20 0.36
▸ AURKA O14965 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
SCHEMBL22125090 0.92 TTK (0.39) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL30171633 0.91 TTK (0.42) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL22139078 0.91 TTK (0.42) TTKMAPKAPK5PTK6CDK2AURKA
SCHEMBL22122902 0.89 TTK (0.41) TTKMAPKAPK5PTK6AURKA
SCHEMBL22123796 0.89 TTK (0.40) TTKMAPKAPK5PTK6AURKA
Hydrochloric Acid SCHEMBL30171852 0.88 TTK (0.40) TTKMAPKAPK5PTK6AURKA
SCHEMBL30171591 0.88 MAPKAPK5 (0.43) TTKMAPKAPK5PTK6AURKA
SCHEMBL22160299 0.88 MAPKAPK5 (0.43) TTKMAPKAPK5PTK6AURKA
SCHEMBL22123813 0.88 PTK6 (0.46) TTKMAPKAPK5PTK6AURKA
SCHEMBL24112322 0.87 TTK (0.39) TTKMAPKAPK5PTK6CDK2AURKA

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885PTK6 2211/4885

“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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