SCHEMBL17573293

SCHEMBL17573293

c1cc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 1.00
MAP4K1 Q92918 1/20 0.47
ATR Q13535 1/20 0.46
ATRIP Q8WXE1 1/20 0.46

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
SCHEMBL17573366 0.84 LRRK2 (1.00) LRRK2ATRATRIP
SCHEMBL24022606 0.84 LRRK2 (0.72) LRRK2
SCHEMBL17573378 0.82 LRRK2 (1.00) LRRK2MAP4K1
SCHEMBL17573292 0.80 LRRK2 (1.00) LRRK2MAP4K1
SCHEMBL17573300 0.79 LRRK2 (1.00) LRRK2
SCHEMBL17573299 0.78 LRRK2 (0.70) LRRK2
SCHEMBL17573369 0.75 LRRK2 (1.00) LRRK2
SCHEMBL18399207 0.73 LRRK2 (0.86) LRRK2
SCHEMBL24022582 0.73 LRRK2 (0.58) LRRK2
SCHEMBL28610253 0.72 LRRK2 (0.58) LRRK2MAP4K1

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
EP-3190889-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
EP-3190889-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-10954240-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
US-10954240-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2021-03-23 US disclosed
WO-2016036586-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-03-10 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 (1 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-10954240-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity LRRK2, LRRC59, LRRC47 LRRK2 1/4885MAP4K1 282/4885ATR 637/4885

“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.