SCHEMBL13412136

SCHEMBL13412136

CN(C)C(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
DGAT1 O75907 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.32
P4HB P07237 1/20 0.32
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
F11 P03951 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SRPK2 P78362 1/20 0.31
SRPK1 Q96SB4 1/20 0.31
EML4 Q9HC35 1/20 0.31
ALK Q9UM73 1/20 0.31
CA1 P00915 2/20 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
SCHEMBL12967833 0.87 FFAR1 (0.39) FFAR1
SCHEMBL680013 0.83 FFAR1 (0.52) FFAR1DGAT1UCHL1P4HBLPL
SCHEMBL14654744 0.83 FFAR1 (0.52) FFAR1DGAT1UCHL1USP30P4HB
SCHEMBL29108989 0.82 FFAR1 (0.51) FFAR1DGAT1P4HBLPLLIPG
SCHEMBL29071418 0.79 FFAR1 (0.49) FFAR1DGAT1UCHL1USP30P4HB
SCHEMBL25284992 0.79 FFAR1 (0.41) FFAR1USP30
SCHEMBL253500 0.77 FFAR1 (0.57) FFAR1DGAT1UCHL1GSK3AGSK3B
SCHEMBL1650157 0.77 FFAR1 (0.50) FFAR1DGAT1UCHL1USP30LPL
SCHEMBL141413 0.76 FFAR1 (0.52) FFAR1DGAT1UCHL1USP30F11
SCHEMBL860835 0.76 FFAR1 (0.46) FFAR1DGAT1UCHL1USP30P4HB

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
CN-114685490-A Pyrrolopyridine compound and application thereof 江苏先声药业有限公司 2022-07-01 CN disclosed
US-8551995-B2 (4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridazin-3-yl}-phenyl)-morpholin-4-yl-methanone; useful in treating disorders related to abnormal protein kinase activities such as cancer XCOVERY HOLDING COMPANY, LLC (US) 2013-10-08 US disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
WO-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 WO 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 (1 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-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 FFAR1 4647/4885DGAT1 4480/4885UCHL1 3820/4885

“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.