SCHEMBL22123836

SCHEMBL22123836

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.45
▸ MAPKAPK5 Q8IW41 2/20 0.44
▸ TTK P33981 4/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ SIK1 P57059 3/20 0.41
▸ SIK2 Q9H0K1 3/20 0.41
▸ SIK3 Q9Y2K2 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ABCC1 P33527 1/20 0.40

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
SCHEMBL22123104 0.98 CNR2 (0.44) KDRMAPKAPK5TTKCNR2CNR1
SCHEMBL24870858 0.97 MAPKAPK5 (0.43) KDRMAPKAPK5TTKCNR2CNR1
SCHEMBL30171702 0.97 MAPKAPK5 (0.43) KDRMAPKAPK5TTKCNR2CNR1
SCHEMBL22124915 0.96 CNR2 (0.46) MAPKAPK5TTKCNR2CNR1LMNA
SCHEMBL24916549 0.94 MAPKAPK5 (0.43) KDRMAPKAPK5TTKCNR2CNR1
SCHEMBL22122960 0.88 PTK6 (0.47) MAPKAPK5TTK
SCHEMBL22123081 0.88 MAPKAPK5 (0.45) MAPKAPK5TTKCNR2
SCHEMBL22160934 0.88 TTK (0.44) MAPKAPK5TTKCNR2CNR1
SCHEMBL22160299 0.88 MAPKAPK5 (0.43) MAPKAPK5TTKCNR2CNR1SIK1
SCHEMBL30171591 0.88 MAPKAPK5 (0.43) MAPKAPK5TTKCNR2CNR1SIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL 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 (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 KDR 4212/4885MAPKAPK5 647/4885TTK 4482/4885

“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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