SCHEMBL16014236

SCHEMBL16014236

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
ALOX5AP P20292 5/20 0.33
FEN1 P39748 5/20 0.33
ADORA2B P29275 4/20 0.33
NPC1 O15118 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 2/20 0.31
AAK1 Q2M2I8 2/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 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
SCHEMBL16014263 0.88 DGAT1 (0.43) DGAT1ADORA2BNPC1ADORA2AATR
SCHEMBL16025817 0.88 DGAT1 (0.34) DGAT1NPC1ATRATRIP
SCHEMBL3515565 0.87 NPC1 (0.34) DGAT1NPC1CNR1CNR2ACHE
SCHEMBL30084147 0.87 NPC1 (0.34) DGAT1NPC1CNR1CNR2ACHE
SCHEMBL16014262 0.86 NPC1 (0.38) DGAT1ALOX5APFEN1NPC1
SCHEMBL17432525 0.86 DGAT1 (0.33) DGAT1ALOX5APFEN1NPC1AAK1
SCHEMBL16025812 0.86 CASR (0.36) DGAT1
SCHEMBL16014121 0.85 DGAT1 (0.33) DGAT1NPC1
SCHEMBL23860100 0.84 LRRK2 (0.37) DGAT1ALOX5APFEN1NPC1AAK1
SCHEMBL16014190 0.84 MAPK13 (0.33) DGAT1ALOX5APFEN1NPC1

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 DGAT1 3893/4885ALOX5AP 3894/4885FEN1 3531/4885

“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.