SCHEMBL3690355

SCHEMBL3690355

CCc1cc(CN)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
CSNK2A1 P68400 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
TAAR1 Q96RJ0 3/20 0.40
MAOB P27338 2/20 0.40
PSIP1 O75475 1/20 0.39
PARP1 P09874 1/20 0.38
PNMT P11086 1/20 0.38
SLC9A1 P19634 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DHFR P00374 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
SCHEMBL27663597 0.85 LOXL2 (0.48) LOXL2TAAR1MAOBPARP1PNMT
SCHEMBL8205755 0.85 TRPA1 (0.43) BACE1TAAR1GAA
SCHEMBL1695325 0.83 CSNK2A1 (0.45) BACE1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL12075682 0.81 BACE1 (0.50) BACE1TAAR1
SCHEMBL14318895 0.81 LOXL2 (0.44) LOXL2TAAR1MAOBPARP1PNMT
SCHEMBL14402511 0.81 BACE1 (0.40) BACE1MAOBSLC9A1GAADHFR
SCHEMBL1696358 0.80 CSNK2A1 (0.49) BACE1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL13617385 0.79 CYP4F2 (0.51) BACE1MAOBSLC9A1GAA
SCHEMBL8055086 0.79 BACE1 (0.39) BACE1MAOBPARP1SLC9A1GAA
SCHEMBL3689851 0.79 LOXL2 (0.44) LOXL2TAAR1MAOBPARP1PNMT

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 35 patents — showing the first 20. 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-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-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
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
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-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN 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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 (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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 BACE1 339/4885CSNK2A1 1457/4885CSNK2A2 1495/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 BACE1 257/4885CSNK2A1 2565/4885CSNK2A2 2653/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 BACE1 126/4885CSNK2A1 4173/4885CSNK2A2 3976/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 BACE1 165/4885CSNK2A1 4586/4885CSNK2A2 4442/4885

“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.