SCHEMBL4937792

SCHEMBL4937792

N#Cc1ccnc(OCC2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 2/20 0.41
VNN1 O95497 1/20 0.41
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.39
MAP3K12 Q12852 2/20 0.38
MGLL Q99685 1/20 0.38
LRRK2 Q5S007 2/20 0.38
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
PIM1 P11309 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL4937001 0.92 MAP3K12 (0.42) XDHMAP3K12EGLN2IRAK4
SCHEMBL22637601 0.90 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL4937719 0.81 HDAC6 (0.47) MAP3K12LRRK2
SCHEMBL427397 0.81 SIGMAR1 (0.43) VNN1MGLLCYP2D6DPP4DPP8
SCHEMBL8277614 0.79 GRM4 (0.42) LRRK2CYP2D6IRAK4DHFRDCPS
SCHEMBL15716837 0.79 CCNA2 (0.43) XDHKDM1ALRRK2CYP2D6PIM1
SCHEMBL4935143 0.77 LOXL2 (0.52) IRAK4DHFRDCPS
SCHEMBL30939176 0.77 LOXL2 (0.52) IRAK4DHFRDCPS
SCHEMBL15716719 0.76 IRAK4 (0.38) XDHLRRK2PIM1IRAK4DHFR
SCHEMBL4931790 0.76 MAP3K12 (0.42) MAP3K12LRRK2

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
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 XDH 265/4885SLC6A2 2785/4885SLC6A4 1212/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 XDH 73/4885SLC6A2 2611/4885SLC6A4 1643/4885

“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.