SCHEMBL22122938

SCHEMBL22122938

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)C)cc4)nccn23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.47
▸ PTK6 Q13882 1/20 0.46
▸ SYK P43405 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ MAPKAPK5 Q8IW41 2/20 0.43
▸ BRAF P15056 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40

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
SCHEMBL30171661 1.00 TTK (0.47) TTKPTK6SYKAURKAMAPKAPK5
SCHEMBL22122820 0.91 TTK (0.45) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL30171562 0.91 TTK (0.45) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22123753 0.90 TTK (0.44) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL22139065 0.89 MAPKAPK5 (0.54) TTKPTK6SYKMAPKAPK5
SCHEMBL30172072 0.89 TTK (0.52) TTKPTK6SYKAURKAMAPKAPK5
SCHEMBL22122908 0.89 TTK (0.52) TTKPTK6SYKAURKAMAPKAPK5
SCHEMBL24105260 0.87 PTK6 (0.45) TTKPTK6AURKAMAPKAPK5BRAF
SCHEMBL24105218 0.86 PTK6 (0.47) TTKPTK6AURKAMAPKAPK5ALDH1A1
SCHEMBL24105263 0.86 FYN (0.49) TTKPTK6AURKAMAPKAPK5FYN

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
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230012368-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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 TTK 4482/4885PTK6 2211/4885SYK 954/4885

“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.

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