SCHEMBL3672356

SCHEMBL3672356

Cc1c(F)cc(C(N)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
JAK2 O60674 2/20 0.34
BTK Q06187 2/20 0.34
ROCK1 Q13464 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CXCR2 P25025 3/20 0.31
UCHL1 P09936 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
PARP1 P09874 2/20 0.30
CYP3A4 P08684 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
SCHEMBL14077637 0.87 HDAC1 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL20448590 0.87 HDAC1 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL4225195 0.83 KDM4E (0.39) HDAC1HDAC6JAK2BTKCXCR2
SCHEMBL601557 0.81 UCHL1 (0.44) HDAC6UCHL1CYP3A4CA1CA2
SCHEMBL2718600 0.81 BACE1 (0.38) HDAC1HDAC6JAK2BTKCXCR2
SCHEMBL20605342 0.81 PARP1 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL1674267 0.81 PARP1 (0.38) F11F2PRSS1PRSS2PRSS3
SCHEMBL22194143 0.80 NPSR1 (0.36) HDAC1HDAC6JAK2BTKBACE1
SCHEMBL2215153 0.80 HDAC6 (0.41) HDAC1HDAC6CXCR2UCHL1CA1
SCHEMBL1233356 0.78 MAPK14 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed
US-7846944-B2 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2010-12-07 US disclosed
EP-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2009-01-08 US disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 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-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof MAPK1, MAP3K1, MAP4K2 F11 959/4885F2 457/4885PRSS1 1626/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 F11 1528/4885F2 2330/4885PRSS1 2215/4885

“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.