SCHEMBL2554512

SCHEMBL2554512

CC(CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
AAK1 Q2M2I8 4/20 0.48
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
ROCK1 Q13464 1/20 0.39
SERPINE1 P05121 1/20 0.37
HIF1A Q16665 3/20 0.37
DGAT1 O75907 1/20 0.36
USP30 Q70CQ3 2/20 0.35
PCSK9 Q8NBP7 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL15092669 1.00 PRMT5 (0.49) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL15092357 1.00 PRMT5 (0.49) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL29784727 1.00 PRMT5 (0.49) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL15092601 0.90 PRMT5 (0.48) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL2562624 0.88 AAK1 (0.58) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL2554622 0.85 ROCK1 (0.43) PRMT5WDR77AAK1ROCK1HIF1A
SCHEMBL9947755 0.84 AAK1 (0.48) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL21421824 0.84 AAK1 (0.48) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL6185324 0.84 AAK1 (0.48) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL30578932 0.84 AAK1 (0.48) PRMT5WDR77AAK1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 PRMT5 3523/4885WDR77 1398/4885AAK1 347/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 PRMT5 3523/4885WDR77 1398/4885AAK1 347/4885

“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.