SCHEMBL22123500

SCHEMBL22123500

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCN5CCOCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.49
▸ CD274 Q9NZQ7 1/20 0.49
▸ MAPT P10636 1/20 0.44
▸ TTK P33981 4/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KDR P35968 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ STK10 O94804 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ TIE1 P35590 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ MERTK Q12866 1/20 0.42

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
SCHEMBL22123797 0.92 PTK6 (0.45) MAPKAPK5CD274TTK
SCHEMBL30183184 0.91 TTK (0.46) MAPKAPK5CD274TTK
SCHEMBL22122828 0.90 TTK (0.44) MAPKAPK5CD274MAPTTTKRET
SCHEMBL30171757 0.90 TTK (0.44) MAPKAPK5CD274MAPTTTKRET
SCHEMBL22142812 0.89 TTK (0.43) MAPKAPK5CD274MAPTTTKKDR
SCHEMBL30349788 0.88 TTK (0.47) MAPKAPK5TTK
SCHEMBL22124768 0.88 TTK (0.47) MAPKAPK5TTK
SCHEMBL22122944 0.88 PTK6 (0.47) MAPKAPK5CD274TTK
SCHEMBL22124284 0.87 TTK (0.49) MAPKAPK5CD274TTKAXL
SCHEMBL30171640 0.87 TTK (0.49) MAPKAPK5CD274TTKAXL

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
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 MAPKAPK5 647/4885CD274 3874/4885MAPT 3791/4885

“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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