SCHEMBL16985371

SCHEMBL16985371

Cc1c(N)cnn1C1CCC(N2CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.36
ALOX15 P16050 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
OPRL1 P41146 2/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
JAK1 P23458 1/20 0.33
PDE7A Q13946 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL16985372 0.83 IRAK4 (0.37) IRAK4KDM1AMAOBJAK1LRRK2
SCHEMBL5021081 0.81 LRRK2 (0.43) ALOX15LRRK2
SCHEMBL23275182 0.78 ALOX15 (0.47) ALOX15LRRK2
SCHEMBL16975335 0.78 MAPT (0.41) PDE7A
SCHEMBL16985513 0.78 MAPT (0.41) PDE7A
SCHEMBL5021135 0.77 LRRK2 (0.47) ALOX15LRRK2
SCHEMBL5021101 0.75 LRRK2 (0.39) ALOX15LRRK2
SCHEMBL16985435 0.75 LMNA (0.37) ALOX15KDM1AJAK1
SCHEMBL28563034 0.75 LRRK2 (0.39) ALOX15LRRK2
SCHEMBL16985541 0.74 IRAK4 (0.41) IRAK4KDM1AMAOBMAPK8MAPK9

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 5 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
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP 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 IRAK4 1571/4885ALOX15 2733/4885KDM1A 2774/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 IRAK4 2181/4885ALOX15 2529/4885KDM1A 3328/4885

“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.