SCHEMBL30172086

SCHEMBL30172086

Cc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCC1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.44
▸ BRD4 O60885 5/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ PTK6 Q13882 1/20 0.40
▸ CDK1 P06493 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ CHRM4 P08173 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ BDKRB1 P46663 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
SCHEMBL22123079 1.00 TTK (0.44) TTKBRD4JAK2JAK1JAK3
SCHEMBL22123494 0.93 TTK (0.42) TTKBRD4JAK2JAK1JAK3
SCHEMBL30171737 0.93 TTK (0.42) TTKBRD4JAK2JAK1JAK3
SCHEMBL22123076 0.92 TTK (0.47) TTKPTK6
SCHEMBL30171836 0.92 TTK (0.47) TTKPTK6
SCHEMBL22123168 0.87 TTK (0.50) TTKJAK2JAK1PTK6NR3C1
SCHEMBL22123704 0.86 TTK (0.42) TTKPTK6CDK1CDK2KDM4E
SCHEMBL22122965 0.85 TTK (0.41) TTKPTK6CDK1CDK2KDM4E
SCHEMBL22124197 0.85 PTK6 (0.45) TTKPTK6CHRM4CHRM2
SCHEMBL24870788 0.84 TTK (0.40) TTKPTK6CDK1CDK2KDM4E

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 1 patent. 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

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 4482/4885BRD4 596/4885JAK2 191/4885

“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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