SCHEMBL18650903

SCHEMBL18650903

COc1cc2c(cc1N1CCOCC1=O)nc(N)n2CCCO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ LRRK2 Q5S007 3/20 0.33
▸ TLR8 Q9NR97 3/20 0.32
▸ F10 P00742 6/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NTRK1 P04629 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ NTRK2 Q16620 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL18650939 0.94 F10 (0.31) F10
SCHEMBL18630830 0.92 F10 (0.32) F10BACE1
SCHEMBL18650945 0.91 F10 (0.30) F10
SCHEMBL18650902 0.89 F10 (0.36) LMNATLR8F10BACE1TP53
SCHEMBL18650910 0.89 F10 (0.37) F10BACE1PTGS2
SCHEMBL18631141 0.89 BACE1 (0.31) TLR8F10BACE1
SCHEMBL18650905 0.89 F10 (0.36) LRRK2TLR8F10BACE1PTGS2
SCHEMBL18650944 0.86 RET (0.33) F10BACE1
SCHEMBL18650907 0.85 LRRK2 (0.33) LRRK2F10PTGS2
SCHEMBL18650906 0.85 LRRK2 (0.32) LRRK2F10

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 LMNA 1351/4885LRRK2 86/4885TLR8 40/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 LMNA 1351/4885LRRK2 86/4885TLR8 40/4885

“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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