SCHEMBL940757

SCHEMBL940757

FC(F)(F)c1ccnc(OC2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
ADRB1 P08588 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
ROCK1 Q13464 1/20 0.42
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
HRH1 P35367 1/20 0.39
IKBKB O14920 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TIPARP Q7Z3E1 2/20 0.38
PTGS1 P23219 4/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL30422003 0.77 IRAK4 (0.49) SYKIRAK4ROCK1HRH1IKBKB
SCHEMBL29003863 0.77 IRAK4 (0.49) SYKIRAK4ROCK1HRH1IKBKB
SCHEMBL29003898 0.77 IRAK4 (0.49) SYKIRAK4ROCK1AXLHRH1
SCHEMBL30422551 0.77 IRAK4 (0.49) SYKIRAK4ROCK1AXLHRH1
SCHEMBL21606933 0.77 ROCK1 (0.51) SYKADRB1ROCK1HRH1IKBKB
Hydrochloric Acid SCHEMBL27158759 0.75 ROCK1 (0.50) SYKROCK1HRH1IKBKBMAPK1
SCHEMBL13920500 0.75 IRAK4 (0.50) SYKIRAK4ROCK1HRH1IKBKB
SCHEMBL27157766 0.75 SYK (0.47) SYKROCK1HTR2CHTR2BAXL
SCHEMBL31435068 0.73 MALT1 (0.47) SYKROCK1AXLTYRO3HRH1
SCHEMBL4800992 0.73 IRAK4 (0.46) SYKIRAK4ROCK1HRH1IKBKB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456204-B Benzothiazine derivative, and preparation method and application thereof 四川大学 2023-05-26 CN disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (4 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SYK 2224/4885ADRB1 4301/4885IRAK4 4597/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SYK 2224/4885ADRB1 4301/4885IRAK4 4597/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SYK 2224/4885ADRB1 4301/4885IRAK4 4597/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 SYK 4077/4885ADRB1 2430/4885IRAK4 4556/4885

“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.