SCHEMBL22123305

SCHEMBL22123305

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCCCN5)c(C)c4)nccn23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.46
▸ MET P08581 1/20 0.44
▸ IKBKB O14920 2/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CACNA1D Q01668 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1S Q13698 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41

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
SCHEMBL30171645 1.00 TTK (0.46) TTKMETIKBKBMAPKAPK5CYP1A2
SCHEMBL24870957 0.91 TTK (0.47) TTKMAPKAPK5PTK6
SCHEMBL30171773 0.91 TTK (0.47) TTKMAPKAPK5PTK6
SCHEMBL30172097 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6
SCHEMBL24871004 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6
SCHEMBL30171837 0.89 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL22124379 0.89 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL22142795 0.87 PTK2 (0.48) TTKMAPKAPK5PTK6
SCHEMBL30171965 0.87 PTK2 (0.48) TTKMAPKAPK5PTK6
SCHEMBL24870705 0.85 TTK (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TTK 4482/4885MET 2912/4885IKBKB 1235/4885

“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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