SCHEMBL3389261

SCHEMBL3389261

Cc1nc(Cl)n(Cc2ccccc2C#N)c(=O)c1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.57
KMT2A Q03164 1/20 0.46
NOX4 Q9NPH5 1/20 0.44
NPBWR1 P48145 1/20 0.44
TP53 P04637 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 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
SCHEMBL3391390 0.90 DPP4 (0.58) DPP4KMT2ANOX4NPBWR1GRIN1
SCHEMBL6528356 0.82 DPP4 (0.44) DPP4KMT2ANOX4NPBWR1TP53
SCHEMBL3423901 0.80 DPP4 (0.57) DPP4KMT2ANOX4ALDH1A1NPSR1
SCHEMBL3424634 0.78 KMT2A (0.46) DPP4KMT2ANOX4NPBWR1GRIN1
SCHEMBL16152590 0.78 DPP4 (0.61) DPP4KMT2ANOX4NPBWR1ALDH1A1
SCHEMBL16201107 0.78 TP53 (0.42) DPP4KMT2ANOX4NPBWR1TP53
SCHEMBL3424636 0.77 KMT2A (0.47) DPP4KMT2ANOX4NPBWR1GRIN1
SCHEMBL3423551 0.77 DPP4 (0.60) DPP4KMT2ANOX4GRIN1GRIN2B
SCHEMBL3388746 0.77 DPP4 (0.57) DPP4KMT2ANOX4NPBWR1TP53
SCHEMBL3424840 0.77 DPP4 (0.61) DPP4KMT2ANOX4TP53ALDH1A1

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 31 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
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-7579357-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-25 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-20050070706-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-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
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 (5 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 1/4885KMT2A 4029/4885NOX4 2329/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 4029/4885NOX4 2329/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 4029/4885NOX4 2329/4885
US-20050070706-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 4029/4885NOX4 2329/4885
US-20050070530-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885KMT2A 4029/4885NOX4 2329/4885

“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.