SCHEMBL1996410

SCHEMBL1996410

NCc1c(-c2ccc(Cl)cc2Cl)ccc2c1CC(=O)NC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.47
DPP8 Q6V1X1 10/20 0.43
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
CYP3A4 P08684 4/20 0.37
DPP9 Q86TI2 4/20 0.37
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL5323312 0.78 DPP4 (0.43) DPP4DPP8CYP3A4DPP9CYP2C19
SCHEMBL1997291 0.78 DPP4 (0.44) DPP4DPP8CYP3A4DPP9JAK2
SCHEMBL2000319 0.64 DPP4 (0.45) DPP4DPP8
SCHEMBL19644013 0.64 AHR (0.49) CMA1AHRGSK3B
SCHEMBL2702776 0.64 DPP4 (1.00) DPP4DPP8CYP3A4DPP9CYP2C19
SCHEMBL1995841 0.62 DPP4 (0.46) DPP4DPP8CYP3A4
SCHEMBL2704559 0.62 DPP4 (0.71) DPP4DPP8CYP3A4DPP9CYP2C19
SCHEMBL29624840 0.61 AHR (0.64) AHRCYP3A4
SCHEMBL464507 0.61 AHR (0.64) AHRCYP3A4
SCHEMBL3046924 0.61 HTR2A (0.48) CMA1AHRJAK2NTRK1MET

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 7 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
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

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 5/4885CMA1 180/4885

“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.