SCHEMBL22124379

SCHEMBL22124379

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.49
▸ PTK2 Q05397 2/20 0.46
▸ PTK6 Q13882 3/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ AURKB Q96GD4 2/20 0.41
▸ SYK P43405 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
SCHEMBL30171837 1.00 TTK (0.49) TTKPTK2PTK6MAPKAPK5AURKB
SCHEMBL22142795 0.92 PTK2 (0.48) TTKPTK2PTK6MAPKAPK5AURKB
SCHEMBL30171965 0.92 PTK2 (0.48) TTKPTK2PTK6MAPKAPK5AURKB
SCHEMBL22122852 0.90 TTK (0.50) TTKPTK2PTK6AURKB
SCHEMBL24910493 0.90 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22139112 0.90 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL30171555 0.90 TTK (0.49) TTKPTK6MAPKAPK5
SCHEMBL22122910 0.90 PTK2 (0.46) TTKPTK2PTK6AURKBSYK
SCHEMBL24870957 0.89 TTK (0.47) TTKPTK2PTK6MAPKAPK5AURKB
SCHEMBL30171773 0.89 TTK (0.47) TTKPTK2PTK6MAPKAPK5AURKB

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 3 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
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 TTK 4482/4885PTK2 4090/4885PTK6 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