SCHEMBL1996169

SCHEMBL1996169

NCc1c(-c2ccccc2Cl)ccc2c(=O)[nH]cnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
PRKACA P17612 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54

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
SCHEMBL2447579 0.71 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL4076857 0.68 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL15845736 0.68 IP6K1 (0.55) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL2001995 0.67 DPP4 (0.46) CLK4DPP4DPP8MEN1KMT2A
SCHEMBL3149261 0.67 DPP4 (1.00) DPP4DPP8
SCHEMBL17966260 0.64 PARP1 (0.58) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL20912213 0.64 SRC (0.49) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL1997980 0.64 DPP4 (0.52) CLK4DPP4DPP8MEN1KMT2A
Samoquasine A SCHEMBL15954512 0.64 PARP1 (0.57) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL8982872 0.63 PARP1 (0.57) PARP1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US claimed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO 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-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
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 PARP1 2400/4885AURKA 3616/4885DAPK3 1424/4885

“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.