SCHEMBL16985496

SCHEMBL16985496

CCOc1nc(Nc2cn(C3CCOCC3)nc2C)nc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53

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
SCHEMBL16985466 0.91 LRRK2 (0.49) LRRK2SLCO1B1
SCHEMBL18383173 0.90 LRRK2 (0.53) LRRK2SLCO1B1
SCHEMBL16985442 0.84 LRRK2 (0.51) LRRK2SLCO1B1
SCHEMBL16985495 0.82 LRRK2 (0.54) LRRK2SLCO1B1
SCHEMBL16985570 0.79 LRRK2 (0.53) LRRK2SLCO1B1
SCHEMBL16985518 0.79 LRRK2 (0.51) LRRK2SLCO1B1
SCHEMBL16985568 0.78 LRRK2 (0.57) LRRK2SLCO1B1
SCHEMBL16985578 0.78 LRRK2 (0.53) LRRK2SLCO1B1
SCHEMBL16985510 0.78 LRRK2 (0.49) LRRK2SLCO1B1
SCHEMBL18383128 0.77 LRRK2 (0.47) LRRK2SLCO1B1

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 LRRK2 1/4885SLCO1B1 4634/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885SLCO1B1 4733/4885

“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.