SCHEMBL8277614

SCHEMBL8277614

Cc1ccnc(OCC2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
DGAT1 O75907 1/20 0.40
CYP2D6 P10635 1/20 0.40
UHRF1 Q96T88 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CRHR1 P34998 1/20 0.38
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SLC2A1 P11166 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL8277590 0.91 ACACB (0.43) GRM4IRAK4TLR7
SCHEMBL15086907 0.89 UHRF1 (0.45) DGAT1UHRF1CRHR1LRRK2HCRTR1
SCHEMBL16453454 0.86 KDM4E (0.44) IRAK4DGAT1UHRF1CRHR1HCRTR1
SCHEMBL16453504 0.84 KDM4E (0.46) DGAT1UHRF1CRHR1HCRTR1HCRTR2
SCHEMBL15716837 0.82 CCNA2 (0.43) GRM4IRAK4CYP2D6DHFRDCPS
SCHEMBL427054 0.81 HRH3 (0.44) DGAT1HCRTR1HCRTR2
SCHEMBL4937792 0.79 XDH (0.41) IRAK4CYP2D6DHFRDCPSLRRK2
SCHEMBL30939176 0.79 LOXL2 (0.52) GRM4IRAK4TLR7DHFRDCPS
SCHEMBL4935143 0.79 LOXL2 (0.52) GRM4IRAK4TLR7DHFRDCPS
SCHEMBL15716719 0.78 IRAK4 (0.38) GRM4IRAK4DHFRDCPSLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
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-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
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
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
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 GRM4 799/4885IRAK4 3130/4885DGAT1 3219/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 GRM4 663/4885IRAK4 3654/4885DGAT1 2815/4885

“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.