SCHEMBL22124667

SCHEMBL22124667

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.43
▸ PTK6 Q13882 1/20 0.38
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RET P07949 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL22124700 0.94 PTK6 (0.45) TTKPTK6MAPKAPK5
SCHEMBL24916549 0.94 MAPKAPK5 (0.43) TTKPTK6KDRMAPKAPK5
SCHEMBL22124821 0.93 TTK (0.45) TTKPTK6
SCHEMBL22124919 0.90 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124680 0.90 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124686 0.90 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124734 0.90 TTK (0.45) TTKPTK6BRAF
SCHEMBL22123517 0.90 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22124704 0.89 TTK (0.45) TTKPTK6MAPKAPK5BRAF
SCHEMBL22125103 0.89 TTK (0.45) TTKPTK6MAPKAPK5BRAF

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-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
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 TTK 4573/4885PTK6 2141/4885WNT1 2012/4885

“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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