SCHEMBL18650884

SCHEMBL18650884

CC(C)[Si](OCCC1(n2c(N)nc3cc(N4CCOCC4=O)ccc32)CCCCC1)(C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ F10 P00742 3/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL18650885 0.92 BACE1 (0.34) PTGS2BACE1F10LRRK2PIK3CD
SCHEMBL23617972 0.84 F10 (0.36) PTGS2BACE1F10PIK3CDKLKB1
SCHEMBL18631316 0.79 BACE1 (0.38) PTGS2BACE1F10LRRK2GPR119
SCHEMBL18650894 0.79 F10 (0.37) PTGS2F10LRRK2GPR119KLKB1
SCHEMBL18650893 0.79 F10 (0.37) PTGS2F10LRRK2GPR119KLKB1
SCHEMBL18650896 0.78 TLR8 (0.39) PTGS2BACE1F10LRRK2GPR119
SCHEMBL18668089 0.77 F10 (0.36) PTGS2F10LRRK2GPR119KLKB1
SCHEMBL18650895 0.77 BACE1 (0.37) PTGS2BACE1F10LRRK2
SCHEMBL18650897 0.77 BRD4 (0.34) PTGS2F10LRRK2GPR119KLKB1
SCHEMBL18650886 0.74 LRRK2 (0.36) PTGS2F10LRRK2GPR119KLKB1

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-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
WO-2017049068-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — 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 (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-20170081317-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTGS2 3203/4885BACE1 1434/4885F10 4686/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 PTGS2 3203/4885BACE1 1434/4885F10 4686/4885

“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.

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