SCHEMBL3390442

SCHEMBL3390442

N#Cc1ccccc1Cn1c(Cl)ncc(Br)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.57
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
KMT2A Q03164 1/20 0.46
NOX4 Q9NPH5 1/20 0.44
NPBWR1 P48145 1/20 0.44
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3391420 0.87 DPP4 (0.60) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL3388746 0.85 DPP4 (0.57) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL3390222 0.85 DPP4 (0.57) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL3393525 0.83 DPP4 (0.60) DPP4GRIN1GRIN2BMAPK14
SCHEMBL3385894 0.81 DPP4 (0.59) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL5968487 0.80 NOX4 (0.47) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL3389996 0.78 DPP4 (0.58) DPP4KMT2AALDH1A1
SCHEMBL3391390 0.78 DPP4 (0.58) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL16152586 0.76 DPP4 (0.51) DPP4GRIN1GRIN2BKMT2ANOX4
SCHEMBL3423901 0.74 DPP4 (0.57) DPP4KMT2ANOX4ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
CN-1867560-A 4-pyrimidone derivatives and their use as peptidylpeptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2006-11-22 CN claimed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-20050075330-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-04-07 US disclosed
US-20050070531-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070530-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070706-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP 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 (6 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-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050075330-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070706-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885
US-20050070530-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885GRIN1 2650/4885GRIN2B 2065/4885

“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.