SCHEMBL18650896

SCHEMBL18650896

CC(C)[Si](OCCCCn1c(N)nc2cc(N3CCOCC3=O)ccc21)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.39
▸ BACE1 P56817 3/20 0.37
▸ PTGS2 P35354 7/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ F10 P00742 2/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL18631316 0.97 BACE1 (0.38) TLR8BACE1PTGS2NTRK1CSF1R
SCHEMBL18668081 0.93 TLR8 (0.39) TLR8BACE1PTGS2NTRK1CSF1R
SCHEMBL21297478 0.85 TLR8 (0.56) TLR8BACE1PTGS2CXCR4F10
SCHEMBL18650902 0.84 F10 (0.36) TLR8BACE1F10
SCHEMBL18650905 0.83 F10 (0.36) TLR8BACE1PTGS2F10LRRK2
SCHEMBL18650910 0.83 F10 (0.37) BACE1PTGS2F10NUDT1
SCHEMBL18631141 0.83 BACE1 (0.31) TLR8BACE1F10
SCHEMBL18650894 0.83 F10 (0.37) PTGS2BRD4F10GPR119LRRK2
SCHEMBL18650893 0.83 F10 (0.37) PTGS2BRD4F10GPR119LRRK2
SCHEMBL18650897 0.82 BRD4 (0.34) PTGS2NTRK1CSF1RNTRK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-27 — — US 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 TLR8 40/4885BACE1 1434/4885PTGS2 3203/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 TLR8 40/4885BACE1 1434/4885PTGS2 3203/4885

“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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