SCHEMBL390246

SCHEMBL390246

N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.56
GRIN1 Q05586 11/20 0.54
GRIN2B Q13224 11/20 0.54
NOX4 Q9NPH5 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL17781899 0.87 DPP4 (0.47) DPP4GRIN1GRIN2BNOX4ALDH1A1
SCHEMBL13591663 0.84 DPP4 (0.56) DPP4GRIN1GRIN2BNOX4ALDH1A1
SCHEMBL13142036 0.83 DPP4 (0.46) DPP4GRIN1GRIN2BCYP3A4
SCHEMBL14830541 0.82 GRIN1 (0.55) DPP4GRIN1GRIN2BNOX4KMT2A
SCHEMBL2773928 0.82 PPARG (0.49) DPP4GRIN1GRIN2BALDH1A1CYP3A4
SCHEMBL16845974 0.82 DPP4 (0.53) DPP4GRIN1GRIN2BNOX4KMT2A
SCHEMBL8219650 0.79 DPP4 (0.53) DPP4ALDH1A1CYP3A4HPGDKMT2A
SCHEMBL8217795 0.79 ALDH1A1 (0.47) DPP4ALDH1A1CYP3A4HPGDKMT2A
SCHEMBL16845921 0.78 DPP4 (0.51) DPP4GRIN1GRIN2BNOX4OPRM1
SCHEMBL8217921 0.78 DPP4 (0.54) DPP4GRIN1GRIN2BNOX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341432-A Synthesis process of alogliptin benzoate 重庆化工职业学院 2021-02-09 CN claimed
CN-111110684-A Compositions containing a mixture of pyrimidinedione derivatives and uses thereof 黄泳华 2020-05-08 CN claimed
US-8188275-B2 hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-29 US claimed
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US claimed
CN-1926128-A Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO INC (JP) 2007-03-07 CN claimed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US claimed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP claimed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO claimed
EP-1931350-B2 ADMINISTRATION OF DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2021-08-04 EP disclosed
CN-112341432-A Synthesis process of alogliptin benzoate 重庆化工职业学院 2021-02-09 CN disclosed
CN-112341432-A Synthesis process of alogliptin benzoate 重庆化工职业学院 2021-02-09 CN disclosed
CN-102079743-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-25 CN disclosed
CN-102134231-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-04 CN disclosed
CN-102134229-B Dipeptidyl peptidase inhibitors 武田药品工业株式会社 2020-08-04 CN disclosed
WO-2007033266-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETIS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-22 WO disclosed
CN-1926128-A Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO INC (JP) 2007-03-07 CN disclosed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US disclosed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 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-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885GRIN1 3287/4885GRIN2B 3075/4885
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885GRIN1 3287/4885GRIN2B 3075/4885

“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.