SCHEMBL30177745

SCHEMBL30177745

COc1ccc(-c2cnc3c(Nc4cccc(C(=O)N(C)CC(=O)N5CCOCC5)c4C)nccn23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 3/20 0.46
▸ FYN P06241 1/20 0.41
▸ CD274 Q9NZQ7 2/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ JUN P05412 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE6A P16499 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL22139099 0.90 MAPKAPK5 (0.50) MAPKAPK5FYNPTK6JAK3BTK
SCHEMBL30171560 0.90 MAPKAPK5 (0.50) MAPKAPK5FYNPTK6JAK3BTK
SCHEMBL30183522 0.83 PTK6 (0.49) MAPKAPK5PTK6AURKB
SCHEMBL22139063 0.83 PTK6 (0.49) MAPKAPK5PTK6AURKB
SCHEMBL22124388 0.80 MAPKAPK5 (0.40) MAPKAPK5PTK6AURKBALK
SCHEMBL22123255 0.79 PTK6 (0.44) MAPKAPK5PTK6AURKAAURKB
SCHEMBL30172000 0.78 TTK (0.40) MAPKAPK5PTK6AURKB
SCHEMBL22123009 0.78 TTK (0.40) MAPKAPK5PTK6AURKB
SCHEMBL22123361 0.78 MAPKAPK5 (0.44) MAPKAPK5PTK6AURKAAURKB
SCHEMBL22125012 0.78 PTK6 (0.48) MAPKAPK5PTK6AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011869-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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885FYN 3928/4885CD274 3846/4885

“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.

Send feedback