SCHEMBL16982439

SCHEMBL16982439

CCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]ncc12

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 0.86
▸ SLCO1B1 Q9Y6L6 1/20 0.78

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
SCHEMBL31757156 0.92 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18018893 0.92 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18395067 0.91 LRRK2 (0.82) LRRK2SLCO1B1
SCHEMBL16982511 0.88 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL17980630 0.86 LRRK2 (0.81) LRRK2
SCHEMBL16982526 0.85 LRRK2 (0.72) LRRK2SLCO1B1
SCHEMBL24556852 0.84 LRRK2 (0.77) LRRK2SLCO1B1
SCHEMBL7451422 0.84 LRRK2 (0.86) LRRK2SLCO1B1
SCHEMBL7451347 0.83 LRRK2 (0.86) LRRK2SLCO1B1
SCHEMBL16982465 0.83 LRRK2 (0.91) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP claimed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US claimed
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-30 — — US disclosed
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP disclosed
EP-3099694-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-16 — — EP disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-9815841-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-14 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
US-20170022204-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — US disclosed
WO-2015113451-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-20170022204-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885SLCO1B1 4733/4885
US-20220204515-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, PINK1 LRRK2 1/4885SLCO1B1 4526/4885

“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.

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