SCHEMBL3136513

SCHEMBL3136513

Cn1cnc2cc(Br)c(-c3ccccc3Cl)c(C#N)c21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.64
DPP8 Q6V1X1 5/20 0.47
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
HIF1A Q16665 2/20 0.40
GALR3 O60755 1/20 0.40
POLB P06746 2/20 0.38
STAT6 P42226 1/20 0.38
HSD11B1 P28845 1/20 0.37
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL3139641 0.81 DPP4 (0.62) DPP4DPP8ALDH1A1KDM4EHPGD
SCHEMBL3141016 0.78 DPP4 (1.00) DPP4DPP8
SCHEMBL3135076 0.73 DPP4 (1.00) DPP4DPP8
SCHEMBL3141315 0.69 DPP4 (0.63) DPP4DPP8KDM4EHPGDKMT2A
SCHEMBL3135795 0.69 DPP4 (0.65) DPP4DPP8HSD11B1
SCHEMBL3149831 0.69 DPP4 (0.61) DPP4DPP8ALDH1A1KMT2ALMNA
SCHEMBL3148993 0.68 DPP4 (0.59) DPP4DPP8ALDH1A1KDM4EHPGD
SCHEMBL3149470 0.66 DPP4 (0.64) DPP4DPP8ALDH1A1KDM4EHPGD
SCHEMBL21187468 0.66 DPP4 (0.51) DPP4DPP8LMNA
SCHEMBL25249089 0.66 MEN1 (0.40) DPP4DPP8KMT2AMEN1

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-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 DPP4 2/4885DPP8 5/4885ALDH1A1 540/4885

“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.