SCHEMBL18650902

SCHEMBL18650902

Cc1cc2c(cc1N1CCOCC1=O)nc(N)n2CCCO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.36
▸ TLR8 Q9NR97 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL18650910 0.90 F10 (0.37) F10BACE1
SCHEMBL18650905 0.90 F10 (0.36) F10TLR8BACE1
SCHEMBL18631141 0.90 BACE1 (0.31) F10TLR8BACE1
SCHEMBL18650903 0.89 LMNA (0.34) F10TLR8BACE1LMNATP53
SCHEMBL18630830 0.89 F10 (0.32) F10BACE1
SCHEMBL18650944 0.88 RET (0.33) F10BACE1
SCHEMBL18650945 0.87 F10 (0.30) F10
SCHEMBL18650939 0.87 F10 (0.31) F10
SCHEMBL18631316 0.86 BACE1 (0.38) F10TLR8BACE1
SCHEMBL18650896 0.84 TLR8 (0.39) F10TLR8BACE1

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 F10 4686/4885TLR8 40/4885CYP3A4 3216/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 F10 4686/4885TLR8 40/4885CYP3A4 3216/4885

“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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