SCHEMBL22122840

SCHEMBL22122840

CCc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCCN1CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTK6 Q13882 2/20 0.40
▸ KDR P35968 4/20 0.38
▸ SMYD2 Q9NRG4 2/20 0.37
▸ MET P08581 1/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LCK P06239 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
SCHEMBL22123059 0.89 PTK6 (0.39) KDM4EGAASMN1; SMN2PTK6MAPKAPK5
SCHEMBL22125051 0.89 PTK6 (0.39) KDM4EGAASMN1; SMN2PTK6MAPKAPK5
SCHEMBL30349820 0.89 PTK6 (0.39) KDM4EGAASMN1; SMN2PTK6MAPKAPK5
SCHEMBL24112523 0.89 PTK6 (0.41) KDM4EGAASMN1; SMN2PTK6MET
Hydrochloric Acid SCHEMBL25176396 0.89 PTK6 (0.39) KDM4EGAASMN1; SMN2PTK6MAPKAPK5
SCHEMBL25450711 0.88 PTK6 (0.38) KDM4EGAASMN1; SMN2PTK6MAPKAPK5
SCHEMBL22123746 0.87 KDR (0.38) KDM4EGAASMN1; SMN2PTK6KDR
SCHEMBL30171724 0.87 KDR (0.38) KDM4EGAASMN1; SMN2PTK6KDR
SCHEMBL22123564 0.86 MCHR1 (0.41) KDM4EGAAKDRSMYD2CHRNA7
SCHEMBL24940112 0.86 PTK6 (0.39) PTK6MAPKAPK5TTKLCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 KDM4E 3688/4885GAA 1417/4885SMN1; SMN2 1986/4885

“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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