SCHEMBL30171828

SCHEMBL30171828

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCNC(=O)CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ PTK6 Q13882 1/20 0.33
▸ TTK P33981 7/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ SIK1 P57059 1/20 0.30
▸ SIK2 Q9H0K1 1/20 0.30
▸ SIK3 Q9Y2K2 1/20 0.30

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
SCHEMBL22124715 1.00 CDK2 (0.34) CDK2CDK1IGF1RPTK6TTK
SCHEMBL22124697 0.97 CDK2 (0.34) CDK2CDK1IGF1RPTK6TTK
SCHEMBL25445314 0.92 MAPKAPK5 (0.35) CDK2CDK1PTK6TTKJAK2
SCHEMBL22123884 0.92 CDK2 (0.39) CDK2CDK1PTK6TTKJAK2
SCHEMBL30171959 0.92 CDK2 (0.39) CDK2CDK1PTK6TTKJAK2
SCHEMBL30171584 0.91 CDK2 (0.38) CDK2CDK1PTK6TTKJAK2
SCHEMBL22157134 0.91 CDK2 (0.38) CDK2CDK1PTK6TTKJAK2
SCHEMBL28605339 0.90 TTK (0.33) CDK2CDK1IGF1RPTK6TTK
SCHEMBL28618260 0.90 IGF1R (0.35) IGF1RPTK6TTKJAK2JAK1
SCHEMBL30385985 0.90 CDK2 (0.37) CDK2CDK1PTK6TTKJAK2

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 CDK2 1010/4885CDK1 615/4885IGF1R 261/4885

“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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