SCHEMBL22124745

SCHEMBL22124745

Cc1cc(Nc2nccn3c(-c4ccc(OCC#CCN)c(F)c4F)cnc23)ccc1C(=O)NCCOCCN

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.36
▸ CDK2 P24941 3/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ IDO1 P14902 4/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.31
▸ SYK P43405 2/20 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
SCHEMBL22124815 0.91 TTK (0.39) TTKCDK2CDK1MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL30193386 0.90 TTK (0.38) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL22124702 0.89 TTK (0.40) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL22142794 0.89 TTK (0.40) TTKCDK2CDK1MAPKAPK5BRAF
Hydrochloric Acid SCHEMBL30171637 0.88 TTK (0.40) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL22124811 0.87 PTK6 (0.39) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL30183701 0.87 TTK (0.39) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL22125191 0.86 TTK (0.42) TTKMAPKAPK5BRAFPTK6
SCHEMBL22124583 0.86 MAPKAPK5 (0.33) TTKCDK2CDK1MAPKAPK5BRAF
SCHEMBL30171576 0.86 MAPKAPK5 (0.33) TTKCDK2CDK1MAPKAPK5BRAF

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-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN claimed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN 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 TTK 4573/4885CDK2 1017/4885CDK1 531/4885

“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