SCHEMBL18650894

SCHEMBL18650894

CC(C)[Si](OCC[C@H](C)n1c(N)nc2cc(N3CCOCC3=O)ccc21)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.37
▸ PTGS2 P35354 10/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CCL2 P13500 1/20 0.35
▸ BAZ2A Q9UIF9 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ GPR119 Q8TDV5 1/20 0.33
▸ KLKB1 P03952 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
SCHEMBL18650893 1.00 F10 (0.37) F10PTGS2BRD4CCL2BAZ2A
SCHEMBL18668089 0.90 F10 (0.36) F10PTGS2BRD4CCL2BAZ2A
SCHEMBL18650895 0.90 BACE1 (0.37) F10PTGS2BRD4CCL2BAZ2A
SCHEMBL18650907 0.85 LRRK2 (0.33) F10PTGS2LRRK2
SCHEMBL18631316 0.83 BACE1 (0.38) F10PTGS2BRD4CCL2BAZ2A
SCHEMBL18650896 0.83 TLR8 (0.39) F10PTGS2BRD4LRRK2GPR119
SCHEMBL18650884 0.79 PTGS2 (0.33) F10PTGS2LRRK2GPR119KLKB1
SCHEMBL18650897 0.78 BRD4 (0.34) F10PTGS2BRD4LRRK2GPR119
SCHEMBL18650885 0.77 BACE1 (0.34) F10PTGS2LRRK2GPR119KLKB1
SCHEMBL18650892 0.77 LRRK2 (0.35) F10PTGS2LRRK2GPR119KLKB1

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 F10 4686/4885PTGS2 3203/4885BRD4 176/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 F10 4686/4885PTGS2 3203/4885BRD4 176/4885

“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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