SCHEMBL22122995

SCHEMBL22122995

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CCNCC5)c(C)c4)nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 15/20 0.46
▸ PTK6 Q13882 4/20 0.45
▸ AURKB Q96GD4 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ AURKA O14965 1/20 0.37

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
SCHEMBL25013246 0.93 TTK (0.48) TTKPTK6AURKBAURKA
SCHEMBL22123765 0.92 TTK (0.46) TTKPTK6AURKBLCK
SCHEMBL22123030 0.92 PTK6 (0.47) TTKPTK6AURKBLCK
Hydrochloric Acid SCHEMBL25167713 0.91 TTK (0.45) TTKPTK6AURKBLCK
Hydrochloric Acid SCHEMBL30171859 0.91 PTK6 (0.47) TTKPTK6AURKBLCK
SCHEMBL22123675 0.91 TTK (0.46) TTKPTK6AURKBLCK
SCHEMBL22123056 0.87 TTK (0.52) TTKPTK6
SCHEMBL22123442 0.87 TTK (0.42) TTKPTK6AURKA
SCHEMBL22124446 0.87 TTK (0.42) TTKPTK6AURKA
SCHEMBL22122883 0.86 TTK (0.42) TTKPTK6AURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4482/4885PTK6 2211/4885AURKB 3359/4885

“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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