SCHEMBL22124866

SCHEMBL22124866

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCCCNCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.34
▸ PTK6 Q13882 2/20 0.34
▸ PDE4B Q07343 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ SYK P43405 3/20 0.33
▸ AXL P30530 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ AURKB Q96GD4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
Hydrochloric Acid SCHEMBL30349847 0.99 TTK (0.34) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22124859 0.99 TTK (0.34) TTKPTK6PDE4BPDE4DSYK
Hydrochloric Acid SCHEMBL30172073 0.99 TTK (0.33) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22124841 0.99 TTK (0.34) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22123542 0.96 TTK (0.35) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22124780 0.95 TTK (0.34) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22123161 0.93 TTK (0.33) TTKPTK6PDE4BPDE4DSYK
SCHEMBL24917127 0.93 TTK (0.35) TTKPTK6SYKAXLMAPKAPK5
Trifluoroacetic Acid SCHEMBL30171639 0.93 TTK (0.34) TTKPTK6PDE4BPDE4DSYK
SCHEMBL22123044 0.92 TTK (0.36) TTKPTK6PDE4BPDE4DSYK

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 6 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
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 TTK 4573/4885PTK6 2141/4885PDE4B 2200/4885

“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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