SCHEMBL3149098

SCHEMBL3149098

Cn1cnc2ccc(-c3ccccc3OCc3ccccc3)c(C#N)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
BRD4 O60885 4/20 0.44
DPP8 Q6V1X1 3/20 0.43
GRM2 Q14416 1/20 0.41
IKBKE Q14164 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATP4A P20648 1/20 0.40
MAPK1 P28482 1/20 0.40
ATP4B P51164 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TLR4 O00206 1/20 0.40
TLR3 O15455 1/20 0.40
TLR5 O60602 1/20 0.40

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
SCHEMBL3149470 0.84 DPP4 (0.64) DPP4DPP8MEN1CYP1A2CYP3A4
SCHEMBL3148993 0.80 DPP4 (0.59) DPP4DPP8GRM2MEN1CYP1A2
SCHEMBL3149831 0.77 DPP4 (0.61) DPP4BRD4DPP8MEN1CYP1A2
SCHEMBL3136482 0.76 DPP4 (0.46) DPP4DPP8KMT2A
SCHEMBL3144950 0.71 DPP4 (0.67) DPP4DPP8
SCHEMBL3145203 0.70 DPP4 (0.63) DPP4DPP8GRM2KMT2A
SCHEMBL26013299 0.70 MAPT (0.63) BRD4MAPK1PTGER1
SCHEMBL8874712 0.70 SGMS2 (0.52) BRD4MAPK1PTGER1
SCHEMBL5741190 0.69 NPC1 (0.62) GRM2MAPK1SQOR
SCHEMBL8874717 0.69 SQOR (0.57) BRD4GRM2MEN1CYP1A2CYP2C9

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
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP claimed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO claimed
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 2/4885BRD4 2480/4885DPP8 5/4885

“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.