SCHEMBL16985378

SCHEMBL16985378

Cc1c(N)cnn1C1CCOCC1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.36
ALOX15 P16050 1/20 0.31
FLT3 P36888 2/20 0.30
MAP3K1 Q13233 2/20 0.30
PI4KB Q9UBF8 2/20 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
SCHEMBL16975518 0.84 LRRK2 (0.49) LRRK2ALOX15
SCHEMBL5021101 0.80 LRRK2 (0.39) LRRK2ALOX15FLT3MAP3K1PI4KB
SCHEMBL28563034 0.80 LRRK2 (0.39) LRRK2ALOX15FLT3MAP3K1PI4KB
SCHEMBL16985380 0.78 ALDH1A1 (0.35) LRRK2
SCHEMBL5021081 0.76 LRRK2 (0.43) LRRK2ALOX15
SCHEMBL4561032 0.76 LRRK2 (0.40) LRRK2ALOX15
SCHEMBL7886091 0.75 PKM (0.39) LRRK2FLT3MAP3K1PI4KB
SCHEMBL7886096 0.75 PKM (0.39) LRRK2FLT3MAP3K1PI4KB
SCHEMBL16985277 0.75 JAK1 (0.39) LRRK2ALOX15FLT3MAP3K1PI4KB
SCHEMBL7884509 0.74 PDE4B (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO 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 (2 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 LRRK2 1/4885ALOX15 2733/4885FLT3 4319/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885ALOX15 2529/4885FLT3 4372/4885

“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.