SCHEMBL22123883

SCHEMBL22123883

CNCC(=O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OC(F)F)cc5)cnc34)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.47
▸ TTK P33981 6/20 0.42
▸ AURKB Q96GD4 5/20 0.40
▸ LCK P06239 4/20 0.39
▸ MAPKAPK5 Q8IW41 2/20 0.39

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
SCHEMBL22124440 0.93 PTK6 (0.48) PTK6TTKAURKBLCK
SCHEMBL22123943 0.93 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL24870869 0.92 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30177848 0.92 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL30171618 0.91 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124501 0.91 PTK6 (0.45) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124464 0.91 PTK6 (0.45) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL25450736 0.91 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124099 0.91 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL25169380 0.91 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5

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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885TTK 4546/4885AURKB 3265/4885

“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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