SCHEMBL30171796

SCHEMBL30171796

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CC5CCOCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 3/20 0.47
▸ TTK P33981 11/20 0.44
▸ AXL P30530 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 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
SCHEMBL22142950 1.00 MAPKAPK5 (0.47) MAPKAPK5TTKAXLPTK6FYN
SCHEMBL30171703 0.96 MAPKAPK5 (0.45) MAPKAPK5TTKAXLPTK6FYN
SCHEMBL22139110 0.96 MAPKAPK5 (0.45) MAPKAPK5TTKAXLPTK6FYN
SCHEMBL30171585 0.93 TTK (0.45) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL24870951 0.93 TTK (0.45) MAPKAPK5TTKPTK6SYKAURKB
SCHEMBL22123157 0.91 TTK (0.44) MAPKAPK5TTKPTK6SYKAURKA
SCHEMBL30171704 0.91 TTK (0.44) MAPKAPK5TTKPTK6SYKAURKA
SCHEMBL22139099 0.87 MAPKAPK5 (0.50) MAPKAPK5TTKPTK6FYNSYK
SCHEMBL30171560 0.87 MAPKAPK5 (0.50) MAPKAPK5TTKPTK6FYNSYK
SCHEMBL22139064 0.87 MAPKAPK5 (0.46) MAPKAPK5TTKPTK6SYKAURKA

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 8 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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 MAPKAPK5 728/4885TTK 4546/4885AXL 2962/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 728/4885TTK 4546/4885AXL 2962/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MAPKAPK5 695/4885TTK 4573/4885AXL 3117/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X MAPKAPK5 516/4885TTK 4519/4885AXL 2653/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MAPKAPK5 647/4885TTK 4482/4885AXL 2849/4885

“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