SCHEMBL3139301

SCHEMBL3139301

Cn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 1.00
DPP8 Q6V1X1 9/20 1.00
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKT1 P31749 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5163033 0.93 DPP4 (0.87) DPP4DPP8CYP11B1CYP11B2TP53
SCHEMBL3135758 0.81 DPP4 (0.68) DPP4DPP8CYP11B1CYP11B2TP53
SCHEMBL3144355 0.81 DPP4 (1.00) DPP4DPP8
SCHEMBL3143840 0.76 DPP4 (1.00) DPP4DPP8
SCHEMBL3153018 0.73 DPP4 (1.00) DPP4DPP8
SCHEMBL3154186 0.69 DPP4 (1.00) DPP4DPP8
SCHEMBL3144437 0.69 DPP4 (1.00) DPP4DPP8
SCHEMBL10175447 0.68 CYP11B2 (0.60) DPP4DPP8CYP11B1CYP11B2ATM
SCHEMBL30663918 0.67 CYP11B2 (0.54) DPP4DPP8CYP11B1CYP11B2AKT1
SCHEMBL26603247 0.67 CYP11B2 (0.54) DPP4DPP8CYP11B1CYP11B2AKT1

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-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 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 5/4885CYP11B1 1796/4885

“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.