SCHEMBL22123231

SCHEMBL22123231

CN(C)C(=O)c1ccc(Nc2nccn3c(I)cnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.44
▸ TTK P33981 1/20 0.44
▸ CYP1A2 P05177 8/20 0.43
▸ CYP3A4 P08684 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CDK2 P24941 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ USP2 O75604 6/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ LMNA P02545 5/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL25014253 0.81 TTK (0.56) AURKATTKCYP1A2CYP3A4ALDH1A1
SCHEMBL28916259 0.81 ALDH1A1 (0.52) CYP1A2CYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL22122900 0.79 TTK (0.54) AURKATTKCYP1A2CYP3A4ALDH1A1
SCHEMBL22123117 0.77 MEN1 (0.48) AURKATTKALDH1A1LMNAMEN1
SCHEMBL28916036 0.77 TTK (0.41) AURKATTKCYP1A2CYP3A4ALDH1A1
SCHEMBL22123165 0.75 TTK (0.42) AURKATTKCYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL25176076 0.75 KDR (0.40) TTKTSHRALOX15LMNAMEN1
SCHEMBL22122938 0.75 TTK (0.47) AURKATTKCYP1A2CYP3A4ALDH1A1
SCHEMBL30171661 0.75 TTK (0.47) AURKATTKCYP1A2CYP3A4ALDH1A1
SCHEMBL22123228 0.73 TTK (0.39) AURKATTKALDH1A1CDK2LMNA

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 18 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 disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 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-20230011869-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
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 AURKA 1887/4885TTK 4546/4885CYP1A2 74/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 AURKA 1887/4885TTK 4546/4885CYP1A2 74/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 AURKA 1932/4885TTK 4573/4885CYP1A2 72/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X AURKA 1546/4885TTK 4519/4885CYP1A2 79/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 AURKA 1987/4885TTK 4482/4885CYP1A2 84/4885

“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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