SCHEMBL3071649

SCHEMBL3071649

CC(Nc1ccccc1C#N)c1c(N2CCCC(N)C2)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
CYP3A4 P08684 2/20 0.44
IRAK4 Q9NWZ3 2/20 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
SCHEMBL3063725 0.86 DPP4 (0.48) DPP4CYP3A4
SCHEMBL3065095 0.83 DPP4 (0.45) DPP4IRAK4
SCHEMBL3075385 0.78 DPP4 (0.47) DPP4CYP3A4
SCHEMBL3059451 0.77 DPP4 (0.56) DPP4CYP3A4
SCHEMBL13139857 0.77 DPP4 (0.56) DPP4CYP3A4
SCHEMBL3069487 0.69 DPP4 (0.45) DPP4
SCHEMBL3071647 0.69 DPP4 (0.50) DPP4CYP3A4
SCHEMBL13139849 0.69 DPP4 (0.50) DPP4CYP3A4
SCHEMBL14142368 0.67 DPP4 (0.37) DPP4CYP3A4IRAK4
SCHEMBL3065092 0.64 DPP4 (0.50) DPP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699777-B1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2012-12-12 EP claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US claimed
JP-2007505121-A 2007-03-08 JP claimed
EP-1699777-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-13 EP claimed
WO-2005026148-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-03-24 WO claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 194/4885IRAK4 1855/4885

“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.