SCHEMBL3149763

SCHEMBL3149763

CCn1cnc2ccc(-c3ccc(Cl)cc3Cl)c(C#N)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.67
DPP8 Q6V1X1 4/20 0.67
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HSD11B1 P28845 2/20 0.38
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
GRM2 Q14416 1/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 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
SCHEMBL3141315 0.83 DPP4 (0.63) DPP4DPP8KDM4EMAPTTDP1
SCHEMBL3145087 0.80 DPP4 (1.00) DPP4DPP8
SCHEMBL3149850 0.72 DPP4 (0.67) DPP4DPP8KDM4EHPGDLMNA
SCHEMBL3145122 0.72 DPP4 (0.69) DPP4DPP8HPGDLMNAGAA
SCHEMBL3143996 0.70 CYP1A2 (0.42) DPP4DPP8KDM4EMAPTTDP1
SCHEMBL28329968 0.69 KDM4E (0.51) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL11331909 0.69 NPC1 (0.52) DPP4DPP8KDM4EMAPTHPGD
SCHEMBL3139641 0.69 DPP4 (0.62) DPP4DPP8KDM4EHSD11B1HPGD
SCHEMBL3149775 0.69 KDM4E (0.45) DPP4DPP8KDM4EMAPTTDP1
SCHEMBL29862458 0.67 KDM4E (0.46) DPP4DPP8KDM4EMAPTTDP1

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-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 US claimed
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 5/4885KDM4E 1903/4885

“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.