SCHEMBL27229211

SCHEMBL27229211

C[Si](C)(C)CCOCn1cc(-c2nc(C(=O)Nc3cn[nH]c3)cs2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.42
LRRK2 Q5S007 1/20 0.42
MAP3K5 Q99683 3/20 0.42
RET P07949 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MERTK Q12866 1/20 0.42
PRKAA1 Q13131 1/20 0.42
ROCK1 Q13464 1/20 0.42
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
DNM1L O00429 2/20 0.37
IRAK4 Q9NWZ3 5/20 0.36
AR P10275 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
MAPT P10636 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL27229246 0.83 PIM1 (0.40) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL2586955 0.82 MAOA (0.39) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229315 0.81 CLK2 (0.68) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229368 0.81 CLK2 (0.52) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229297 0.81 CLK2 (0.47) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229209 0.78 MAP3K5 (0.40) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229337 0.78 PIM1 (0.42) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229383 0.76 CLK2 (0.50) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL27229381 0.76 PIM1 (0.43) CLK2LRRK2MAP3K5RETCDK2
SCHEMBL14719171 0.73 LMNA (0.44) PIM1IRAK4SCN10ALMNA

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 CLK2 2/4885LRRK2 1/4885MAP3K5 138/4885

“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.