SCHEMBL22122829

SCHEMBL22122829

CCc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)NCCCC(=O)N1CCN[C@H](CO)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.36
▸ BCL9 O00512 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ TTK P33981 2/20 0.32
▸ AURKB Q96GD4 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ BTK Q06187 1/20 0.30

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
SCHEMBL30171718 1.00 PTK6 (0.36) PTK6BCL9CTNNB1TTKAURKB
SCHEMBL30171919 0.98 PTK6 (0.36) PTK6BCL9CTNNB1TTKAURKB
SCHEMBL22122915 0.98 PTK6 (0.36) PTK6BCL9CTNNB1TTKAURKB
SCHEMBL22123678 0.98 PTK6 (0.36) PTK6BCL9CTNNB1TTKAURKB
SCHEMBL30171682 0.98 PTK6 (0.36) PTK6BCL9CTNNB1TTKAURKB
SCHEMBL22123474 0.97 PTK6 (0.38) PTK6TTKAURKBLCKBTK
SCHEMBL30172142 0.97 PTK6 (0.38) PTK6TTKAURKBLCKBTK
SCHEMBL30171570 0.93 PTK6 (0.38) PTK6TTKAURKBLCK
SCHEMBL22123447 0.93 PTK6 (0.38) PTK6TTKAURKBLCK
SCHEMBL22124707 0.93 PTK6 (0.36) PTK6TTKAURKBLCK

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 5 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
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885BCL9 4686/4885CTNNB1 4187/4885

“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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