SCHEMBL22124142

SCHEMBL22124142

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.41
▸ PTK2 Q05397 4/20 0.41
▸ GUCY1B2 O75343 1/20 0.39
▸ GUCY1A2 P33402 1/20 0.39
▸ GUCY1A1 Q02108 1/20 0.39
▸ GUCY1B1 Q02153 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ AXL P30530 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MET P08581 1/20 0.37
▸ CHEK1 O14757 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
SCHEMBL30187385 1.00 TTK (0.41) TTKPTK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL30187469 0.96 PTK2 (0.45) TTKPTK2PTK6AXL
SCHEMBL22123846 0.96 PTK2 (0.45) TTKPTK2PTK6AXL
SCHEMBL22124297 0.96 PTK2 (0.45) TTKPTK2PTK6AXL
Hydrochloric Acid SCHEMBL30171650 0.95 PTK2 (0.44) TTKPTK2PTK6AXL
SCHEMBL22123706 0.93 TTK (0.41) TTKPTK2PTK6AXL
SCHEMBL22139189 0.92 TTK (0.43) TTKAXL
SCHEMBL30187358 0.92 TTK (0.47) TTKPTK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL22123816 0.92 TTK (0.47) TTKPTK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL22139190 0.92 TTK (0.45) TTKPTK2PTK6AXL

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-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020127075-A1 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-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885PTK2 4505/4885GUCY1B2 2916/4885

“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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