SCHEMBL22125077

SCHEMBL22125077

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN1CCC2(CCOCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.39
▸ MAPKAPK5 Q8IW41 3/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ SIK1 P57059 2/20 0.36
▸ SIK2 Q9H0K1 2/20 0.36
▸ SIK3 Q9Y2K2 2/20 0.36
▸ PTK6 Q13882 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ ERBB2 P04626 1/20 0.34

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
SCHEMBL22125207 0.95 TTK (0.40) TTKMAPKAPK5CNR2CNR1SIK1
SCHEMBL24916596 0.93 TTK (0.38) TTKMAPKAPK5CNR2CNR1SIK1
SCHEMBL30349570 0.93 TTK (0.38) TTKMAPKAPK5CNR2CNR1SIK1
SCHEMBL24916549 0.92 MAPKAPK5 (0.43) TTKMAPKAPK5CNR2CNR1SIK1
SCHEMBL22124708 0.91 TTK (0.41) TTKMAPKAPK5CNR2CNR1PTK6
SCHEMBL22124667 0.88 TTK (0.43) TTKMAPKAPK5PTK6
SCHEMBL22124700 0.87 PTK6 (0.45) TTKMAPKAPK5PTK6AURKB
SCHEMBL22124821 0.86 TTK (0.45) TTKCNR2SIK1SIK2SIK3
SCHEMBL22123836 0.86 KDR (0.45) TTKMAPKAPK5CNR2CNR1SIK1
SCHEMBL22124717 0.86 TTK (0.43) TTKMAPKAPK5CNR2SIK1SIK2

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
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 4573/4885MAPKAPK5 695/4885CNR2 3118/4885

“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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