SCHEMBL16014263

SCHEMBL16014263

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.43
DYRK1A Q13627 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
NPC1 O15118 1/20 0.31
LSS P48449 1/20 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
SCHEMBL17432551 0.89 DGAT1 (0.39) DGAT1DYRK1ANPC1
SCHEMBL16014236 0.88 DGAT1 (0.34) DGAT1ADORA2AADORA2BNPC1ATR
SCHEMBL16025817 0.88 DGAT1 (0.34) DGAT1NPC1ATRATRIP
SCHEMBL24809118 0.87 DGAT1 (0.40) DGAT1DYRK1ANPC1
SCHEMBL16025734 0.87 DYRK1A (0.32) DGAT1DYRK1APDE10AADORA2AADORA2B
SCHEMBL16014262 0.86 NPC1 (0.38) DGAT1PDE10ANPC1
SCHEMBL16025812 0.86 CASR (0.36) DGAT1
SCHEMBL17432525 0.86 DGAT1 (0.33) DGAT1PDE10ANPC1
SCHEMBL16014121 0.85 DGAT1 (0.33) DGAT1NPC1
SCHEMBL16025904 0.84 DGAT1 (0.37) DGAT1ATRATRIP

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 17 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
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2964220-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-10-04 EP disclosed
US-9688654-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9688654-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-06-27 US 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-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-20160009681-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
US-20160009681-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-2014137725-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO 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 (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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 DGAT1 3893/4885DYRK1A 337/4885PDE10A 4171/4885
US-20160009681-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, PARK7, PINK1 DGAT1 3683/4885DYRK1A 337/4885PDE10A 3948/4885

“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.