SCHEMBL1997980

SCHEMBL1997980

NCc1c(-c2ccccc2Cl)ccc2ncncc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.52
DPP8 Q6V1X1 7/20 0.52
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C19 P33261 5/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 3/20 0.38
USP2 O75604 3/20 0.38
LMNA P02545 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HIF1A Q16665 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2001995 0.78 DPP4 (0.46) DPP4DPP8CYP1A2CYP3A4CYP2D6
SCHEMBL3144437 0.69 DPP4 (1.00) DPP4DPP8
SCHEMBL27798083 0.68 EGFR (0.47) SMN1; SMN2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3139405 0.66 DPP4 (1.00) DPP4DPP8
SCHEMBL3154186 0.66 DPP4 (1.00) DPP4DPP8
SCHEMBL3143750 0.65 DPP4 (1.00) DPP4DPP8
SCHEMBL3144355 0.65 DPP4 (1.00) DPP4DPP8
SCHEMBL28843744 0.65 USP2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28154281 0.64 DPP4 (0.53) DPP4DPP8KMT2A
SCHEMBL1996169 0.64 PARP1 (0.54) DPP4DPP8SMN1; SMN2ALDH1A1CLK4

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 DPP4 2/4885DPP8 5/4885SMN1; SMN2 3998/4885

“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.