SCHEMBL22142812

SCHEMBL22142812

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN5CC[S+]([O-])CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ PTK6 Q13882 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ MCHR2 Q969V1 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 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
SCHEMBL30183184 0.92 TTK (0.46) TTKMAPKAPK5PTK6CD274KDM4E
SCHEMBL22122828 0.90 TTK (0.44) TTKMAPKAPK5PTK6CD274KDM4E
SCHEMBL30171757 0.90 TTK (0.44) TTKMAPKAPK5PTK6CD274KDM4E
SCHEMBL22123797 0.89 PTK6 (0.45) TTKMAPKAPK5PTK6CD274AURKB
SCHEMBL22123500 0.89 MAPKAPK5 (0.49) TTKMAPKAPK5CD274MAPTTSHR
SCHEMBL22122944 0.88 PTK6 (0.47) TTKMAPKAPK5PTK6CD274AURKB
SCHEMBL22124775 0.87 PTK6 (0.45) TTKMAPKAPK5PTK6CD274AURKB
SCHEMBL22124768 0.86 TTK (0.47) TTKMAPKAPK5PTK6SYK
SCHEMBL30349788 0.86 TTK (0.47) TTKMAPKAPK5PTK6SYK
SCHEMBL22124457 0.86 TTK (0.42) TTKMAPKAPK5PTK6CD274KDM4E

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
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-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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 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 (4 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 728/4885PTK6 2201/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4573/4885MAPKAPK5 695/4885PTK6 2141/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X TTK 4519/4885MAPKAPK5 516/4885PTK6 1818/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885MAPKAPK5 647/4885PTK6 2211/4885

“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