SCHEMBL30171555

SCHEMBL30171555

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCOC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.49
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ ALDH2 P05091 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ PTK6 Q13882 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
SCHEMBL22139112 1.00 TTK (0.49) TTKMAPKAPK5ALDH2AXLPTK6
SCHEMBL24910493 1.00 TTK (0.49) TTKMAPKAPK5ALDH2AXLPTK6
SCHEMBL30172021 0.96 TTK (0.48) TTKMAPKAPK5ALDH2PTK6
SCHEMBL24870705 0.96 TTK (0.48) TTKMAPKAPK5ALDH2PTK6
SCHEMBL30171640 0.91 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22124284 0.91 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22124379 0.90 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL30171837 0.90 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL24871004 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6
SCHEMBL30172097 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 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-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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885MAPKAPK5 728/4885ALDH2 3157/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885MAPKAPK5 728/4885ALDH2 3157/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885MAPKAPK5 695/4885ALDH2 3149/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885MAPKAPK5 516/4885ALDH2 2930/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885ALDH2 3210/4885

“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