SCHEMBL18650877

SCHEMBL18650877

CC(=O)OCCCn1c(N)nc2cc(N3CCOCC3=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.39
▸ BACE1 P56817 6/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ PTGS2 P35354 7/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36

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
SCHEMBL18650876 0.85 BACE1 (0.54) F10BACE1TLR8NUDT1PTGS2
SCHEMBL21297478 0.84 TLR8 (0.56) F10BACE1TLR8NUDT1PTGS2
SCHEMBL18631316 0.84 BACE1 (0.38) F10BACE1ADORA2ATLR8NUDT1
SCHEMBL18650921 0.83 F10 (0.39) F10BACE1TLR8PTGS2KLKB1
SCHEMBL18650904 0.82 TLR8 (0.41) F10BACE1TLR8NUDT1PTGS2
SCHEMBL18642014 0.82 NTRK1 (0.41) BACE1ADORA2ATLR8NUDT1NTRK1
SCHEMBL18650900 0.82 TLR8 (0.42) F10BACE1TLR8NUDT1PTGS2
SCHEMBL18668081 0.81 TLR8 (0.39) F10BACE1TLR8NUDT1PTGS2
SCHEMBL18650896 0.81 TLR8 (0.39) F10BACE1TLR8NUDT1PTGS2
SCHEMBL18650908 0.81 BACE1 (0.38) F10BACE1TLR8NUDT1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
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 4686/4885BACE1 1434/4885ADORA2A 2657/4885
US-10392375-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof IRAK2, IRAK3, IRAK1 F10 4686/4885BACE1 1434/4885ADORA2A 2657/4885

“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.

Send feedback