SCHEMBL1995182

SCHEMBL1995182

NCc1c2c(cc(C(N)=O)c1-c1ccccc1Cl)NCCN2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.52
DPP8 Q6V1X1 2/20 0.52
IKBKB O14920 1/20 0.38
JAK2 O60674 1/20 0.36
PARP1 P09874 1/20 0.36
PDK2 Q15119 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ADRA1D P25100 1/20 0.33
MAPT P10636 1/20 0.32
CHEK1 O14757 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1999197 0.78 DPP4 (0.51) DPP4DPP8MAPTKMT2AATM
SCHEMBL14369438 0.73 DPP4 (0.47) DPP4DPP8MAPTKMT2A
SCHEMBL3149113 0.68 DPP4 (1.00) DPP4DPP8
SCHEMBL27925971 0.63 KEAP1 (0.59) DPP4DPP8IKBKBPARP1PDK2
SCHEMBL27722279 0.63 LMNA (0.51) DPP4DPP8ADRA1DMAPTKMT2A
SCHEMBL2001399 0.63 DPP4 (0.42) DPP4MAPT
SCHEMBL1203519 0.62 BCAT2 (0.59) IKBKBPARP1MAPTKMT2AATM
SCHEMBL29940950 0.62 BCAT2 (0.59) IKBKBPARP1MAPTKMT2AATM
SCHEMBL1992724 0.62 DPP4 (0.46) DPP4PARP1
SCHEMBL8903347 0.62 PARP1 (0.35) PARP1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US claimed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US claimed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 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 (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-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP3, DPP4, DPP7 DPP4 2/4885DPP8 5/4885IKBKB 1895/4885

“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.