SCHEMBL25447135

SCHEMBL25447135

COc1ccc(-c2cnc3c(Nc4ccc(S(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)cc4)nccn23)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ CDK2 P24941 6/20 0.35
▸ BUB1 O43683 2/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ AXL P30530 2/20 0.34
▸ CDK4 P11802 4/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TTK P33981 1/20 0.32

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
SCHEMBL30371863 0.91 BRD4 (0.39) BRD4EGFRITKBUB1SLC16A3
SCHEMBL25447126 0.91 BRD4 (0.39) BRD4EGFRITKBUB1SLC16A3
SCHEMBL25447130 0.90 BRD4 (0.38) BRD4EGFRITKBUB1SLC16A3
SCHEMBL24105052 0.87 AURKA (0.39) AURKACDK2CDK4AURKBCDK1
SCHEMBL30167782 0.87 AURKA (0.39) AURKACDK2CDK4AURKBCDK1
SCHEMBL25176456 0.87 AURKA (0.37) AURKACDK2CDK4AURKBCDK1
SCHEMBL22124312 0.85 BRD4 (0.41) BRD4EGFRITKBUB1TTK
SCHEMBL30171675 0.85 BRD4 (0.41) BRD4EGFRITKBUB1JAK2
SCHEMBL30385261 0.84 BRD4 (0.39) BRD4EGFRITKBUB1AXL
SCHEMBL30172091 0.83 ITK (0.39) BRD4EGFRITKBUB1AXL

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
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 BRD4 805/4885EGFR 1449/4885ITK 1184/4885

“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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