SCHEMBL22123059

SCHEMBL22123059

CCc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCCN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ TTK P33981 4/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ IDO1 P14902 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32

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
Hydrochloric Acid SCHEMBL25176396 0.99 PTK6 (0.39) PTK6MAPKAPK5BRAFTTKLRRK2
SCHEMBL30349820 0.93 PTK6 (0.39) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL22125051 0.93 PTK6 (0.39) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL24112523 0.92 PTK6 (0.41) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL24940112 0.92 PTK6 (0.39) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL22122965 0.92 TTK (0.41) PTK6MAPKAPK5BRAFTTKLRRK2
SCHEMBL22123098 0.92 MAPKAPK5 (0.37) PTK6MAPKAPK5TTKIDO1CDK2
SCHEMBL22124783 0.91 PTK6 (0.39) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL22125019 0.91 PTK6 (0.38) PTK6MAPKAPK5BRAFTTKIDO1
SCHEMBL25450711 0.91 PTK6 (0.38) PTK6MAPKAPK5BRAFTTKIDO1

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 8 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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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
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 2211/4885MAPKAPK5 647/4885BRAF 1242/4885

“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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