SCHEMBL18650897

SCHEMBL18650897

CC(C)[Si](OCC1(Cn2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ F10 P00742 5/20 0.34
▸ PTGS2 P35354 8/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ KLKB1 P03952 1/20 0.32

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
SCHEMBL18650906 0.85 LRRK2 (0.32) F10LRRK2
SCHEMBL18631316 0.83 BACE1 (0.38) BRD4F10PTGS2GPR119NTRK1
SCHEMBL18650896 0.82 TLR8 (0.39) BRD4F10PTGS2GPR119NTRK1
SCHEMBL18650885 0.82 BACE1 (0.34) F10PTGS2GPR119LRRK2KLKB1
SCHEMBL18650893 0.78 F10 (0.37) BRD4F10PTGS2GPR119LRRK2
SCHEMBL18650894 0.78 F10 (0.37) BRD4F10PTGS2GPR119LRRK2
SCHEMBL18650884 0.77 PTGS2 (0.33) F10PTGS2GPR119LRRK2KLKB1
SCHEMBL18668081 0.77 TLR8 (0.39) BRD4F10PTGS2GPR119NTRK1
SCHEMBL18668089 0.75 F10 (0.36) BRD4F10PTGS2GPR119LRRK2
SCHEMBL18650895 0.75 BACE1 (0.37) BRD4F10PTGS2LRRK2

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 4 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
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 BRD4 176/4885F10 4686/4885PTGS2 3203/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 BRD4 176/4885F10 4686/4885PTGS2 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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