SCHEMBL22123104

SCHEMBL22123104

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCCCN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.44
▸ MAPKAPK5 Q8IW41 3/20 0.44
▸ TTK P33981 4/20 0.43
▸ KDR P35968 1/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ SIK1 P57059 3/20 0.40
▸ SIK2 Q9H0K1 3/20 0.40
▸ SIK3 Q9Y2K2 3/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 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
SCHEMBL24870858 0.99 MAPKAPK5 (0.43) CNR2MAPKAPK5TTKKDRCNR1
SCHEMBL30171702 0.99 MAPKAPK5 (0.43) CNR2MAPKAPK5TTKKDRCNR1
SCHEMBL22123836 0.98 KDR (0.45) CNR2MAPKAPK5TTKKDRCNR1
SCHEMBL22124915 0.95 CNR2 (0.46) CNR2MAPKAPK5TTKCNR1SIK1
SCHEMBL24916549 0.94 MAPKAPK5 (0.43) CNR2MAPKAPK5TTKKDRCNR1
SCHEMBL30171591 0.88 MAPKAPK5 (0.43) CNR2MAPKAPK5TTKCNR1SIK1
SCHEMBL22160299 0.88 MAPKAPK5 (0.43) CNR2MAPKAPK5TTKCNR1SIK1
SCHEMBL22123081 0.87 MAPKAPK5 (0.45) CNR2MAPKAPK5TTKAURKAAURKB
SCHEMBL22122988 0.87 TTK (0.43) MAPKAPK5TTK
SCHEMBL22122991 0.87 TTK (0.43) MAPKAPK5TTK

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-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
EP-3898631-B1 NOVEL 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-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 CNR2 2484/4885MAPKAPK5 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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