SCHEMBL22124850

SCHEMBL22124850

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCOCCN5CCOC(CN)C5)c(C)c4)nccn23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ EPHA2 P29317 9/20 0.37
▸ KDR P35968 6/20 0.37
▸ EPHB4 P54760 5/20 0.37
▸ ERBB2 P04626 4/20 0.37
▸ TTK P33981 4/20 0.36
▸ PTK6 Q13882 2/20 0.35
▸ SYK P43405 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL24916702 0.91 MAPKAPK5 (0.47) MAPKAPK5KDRTTKPTK6MAPK1
SCHEMBL22124558 0.90 MAPKAPK5 (0.42) MAPKAPK5EPHA2KDREPHB4ERBB2
SCHEMBL30183474 0.90 MAPKAPK5 (0.42) MAPKAPK5EPHA2KDREPHB4ERBB2
SCHEMBL22123261 0.90 MAPKAPK5 (0.42) MAPKAPK5EPHA2KDREPHB4ERBB2
SCHEMBL22122945 0.89 MAPKAPK5 (0.41) MAPKAPK5EPHA2KDREPHB4ERBB2
SCHEMBL30403346 0.89 MAPKAPK5 (0.41) MAPKAPK5EPHA2KDREPHB4ERBB2
Hydrochloric Acid SCHEMBL22123929 0.88 MAPKAPK5 (0.41) MAPKAPK5EPHA2KDREPHB4ERBB2
SCHEMBL24917117 0.88 PTK6 (0.44) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL22122869 0.88 MAPKAPK5 (0.42) MAPKAPK5EPHA2KDREPHB4TTK
SCHEMBL30171874 0.88 MAPKAPK5 (0.42) MAPKAPK5EPHA2KDREPHB4TTK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP claimed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885EPHA2 4711/4885KDR 4171/4885

“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.

Send feedback