SCHEMBL17430360

SCHEMBL17430360

Brc1ccc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.46
SMG1 Q96Q15 2/20 0.40
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.37
ABL1 P00519 1/20 0.37
PIK3CA P42336 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36

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
SCHEMBL16025720 0.94 LRRK2 (0.48) LRRK2SMG1MTORPIK3CA
SCHEMBL16025988 0.86 LRRK2 (0.50) LRRK2SMG1ATR
SCHEMBL17430375 0.86 LRRK2 (0.48) LRRK2SMG1MTOR
SCHEMBL16025577 0.84 LRRK2 (0.46) LRRK2SMG1MTORPIK3CA
SCHEMBL16525450 0.81 LRRK2 (0.48) LRRK2SMG1MTORPIK3CA
SCHEMBL16525248 0.81 LRRK2 (0.48) LRRK2SMG1MTORPIK3CA
SCHEMBL16025886 0.81 LRRK2 (0.61) LRRK2SMG1ATR
SCHEMBL16025891 0.81 LRRK2 (0.47) LRRK2SMG1PRKDCABL1PIK3CA
SCHEMBL16718871 0.81 LRRK2 (0.47) LRRK2SMG1MTORPIK3CA
SCHEMBL16023497 0.80 LRRK2 (0.48) LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US 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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 LRRK2 1/4885SMG1 699/4885MTOR 126/4885

“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.