SCHEMBL27229337

SCHEMBL27229337

COc1nn(CC(F)(F)F)cc1NC(=O)c1csc(-c2cnn(COCC[Si](C)(C)C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.42
IRAK4 Q9NWZ3 6/20 0.37
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
MAP3K5 Q99683 2/20 0.34
RET P07949 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
MERTK Q12866 1/20 0.34
PRKAA1 Q13131 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK2 P49760 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHEK1 O14757 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL27229236 0.87 IRAK4 (0.47) PIM1IRAK4CDC25ACDC25BMAP3K5
SCHEMBL27229200 0.84 CLK2 (0.48) PIM1IRAK4CDC25ACDC25BCLK2
SCHEMBL27229246 0.83 PIM1 (0.40) PIM1IRAK4CDC25ACDC25BMAP3K5
SCHEMBL27229322 0.82 PIM1 (0.40) PIM1IRAK4CDC25ACDC25BMAP3K5
SCHEMBL27029407 0.80 IRAK4 (0.49) PIM1IRAK4CDC25ACDC25BROCK1
SCHEMBL27229211 0.78 CLK2 (0.42) PIM1IRAK4MAP3K5RETCDK2
SCHEMBL2586955 0.78 MAOA (0.39) PIM1MAP3K5RETCDK2GSK3B
SCHEMBL2590821 0.76 ALDH1A1 (0.45) PIM1CLK2LRRK2
SCHEMBL27229383 0.75 CLK2 (0.50) PIM1IRAK4MAP3K5RETCDK2
SCHEMBL27229381 0.75 PIM1 (0.43) PIM1MAP3K5RETCDK2GSK3B

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-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-30 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-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 PIM1 1824/4885IRAK4 267/4885CDC25A 3192/4885

“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.