SCHEMBL16014190

SCHEMBL16014190

C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Cc3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
BUB1 O43683 1/20 0.33
NPC1 O15118 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 2/20 0.32
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
PDE5A O76074 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL16014262 0.87 NPC1 (0.38) BUB1NPC1DGAT1ALOX5APFEN1
SCHEMBL17432527 0.85 LRRK2 (0.42)
SCHEMBL16025817 0.84 DGAT1 (0.34) NPC1MAPTDGAT1
SCHEMBL16014236 0.84 DGAT1 (0.34) NPC1DGAT1ALOX5APFEN1
SCHEMBL16014263 0.84 DGAT1 (0.43) NPC1DGAT1
SCHEMBL16014121 0.83 DGAT1 (0.33) NPC1DGAT1
SCHEMBL17432525 0.82 DGAT1 (0.33) NPC1MAPTDGAT1ALOX5APFEN1
SCHEMBL16025812 0.82 CASR (0.36) BUB1MAPTDGAT1
SCHEMBL23860100 0.81 LRRK2 (0.37) NPC1DGAT1ALOX5APFEN1
SCHEMBL16014237 0.80 L3MBTL1 (0.41) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
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
EP-2964221-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY Merck Sharp & Dohme Corp. (US) 2016-01-13 EP disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 MAPK13 410/4885MAPK12 640/4885MAPK11 628/4885

“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.