SCHEMBL16985492

SCHEMBL16985492

Nc1cnn([C@H]2C[C@H](F)CN(C3COC3)C2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.37
KCNH2 Q12809 3/20 0.34
MAP3K12 Q12852 8/20 0.33
DYRK1A Q13627 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL16985571 1.00 LRRK2 (0.37) LRRK2KCNH2MAP3K12DYRK1AKAT2B
SCHEMBL21850266 1.00 LRRK2 (0.37) LRRK2KCNH2MAP3K12DYRK1AKAT2B
SCHEMBL21087663 0.88 LRRK2 (0.44) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL18387646 0.85 LRRK2 (0.33) LRRK2KCNH2MAP3K12
SCHEMBL21851561 0.81 LRRK2 (0.36) LRRK2KCNH2DYRK1AKAT2B
SCHEMBL5021297 0.80 LRRK2 (0.39) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL16985567 0.80 LRRK2 (0.35) LRRK2KCNH2KAT2B
SCHEMBL16985550 0.80 LRRK2 (0.35) LRRK2KCNH2KAT2B
SCHEMBL21850251 0.77 LRRK2 (0.47) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL16985407 0.75 LRRK2 (0.53) LRRK2KCNH2MAP3K12DYRK1AKAT2B

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 1/4885KCNH2 3594/4885MAP3K12 118/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885KCNH2 3477/4885MAP3K12 100/4885

“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.