SCHEMBL30172072

SCHEMBL30172072

CNC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(Cl)c4)cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.52
▸ PTK2 Q05397 2/20 0.51
▸ PTK6 Q13882 1/20 0.46
▸ SYK P43405 1/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ AURKA O14965 1/20 0.41

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
SCHEMBL22122908 1.00 TTK (0.52) TTKPTK2PTK6SYKMAPKAPK5
SCHEMBL22154474 0.91 TTK (0.50) TTKPTK2PTK6MAPKAPK5BRAF
SCHEMBL22139065 0.90 MAPKAPK5 (0.54) TTKPTK6SYKMAPKAPK5
SCHEMBL30171597 0.90 TTK (0.50) TTKPTK2PTK6
SCHEMBL22124603 0.90 TTK (0.50) TTKPTK2PTK6
SCHEMBL30171768 0.90 PTK6 (0.49) TTKPTK2PTK6SYKMAPKAPK5
SCHEMBL22122923 0.90 PTK6 (0.49) TTKPTK2PTK6SYKMAPKAPK5
SCHEMBL30171705 0.89 TTK (0.51) TTKPTK6
SCHEMBL22123392 0.89 TTK (0.51) TTKPTK6
SCHEMBL22122938 0.89 TTK (0.47) TTKPTK6SYKMAPKAPK5BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL 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

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.

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