SCHEMBL305972

SCHEMBL305972

Cn1c(=O)cc(Cl)n(Cc2cc(F)ccc2C#N)c1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
KCNH2 Q12809 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL12841582 0.86 DPP4 (0.60) DPP4CYP2D6CYP3A4CYP1A2KCNH2
SCHEMBL389683 0.84 DPP4 (0.57) DPP4CYP3A4OPRM1OPRK1
SCHEMBL8220276 0.83 DPP4 (0.58) DPP4CYP2D6CYP3A4CYP1A2
SCHEMBL13206726 0.82 DPP4 (0.47) DPP4CYP3A4
SCHEMBL8216086 0.81 DPP4 (0.56) DPP4CYP3A4
SCHEMBL8210057 0.81 DPP4 (0.58) DPP4CYP2D6CYP3A4CYP1A2
SCHEMBL15478762 0.81 DPP4 (0.77) DPP4CYP2D6CYP3A4CYP1A2KCNH2
SCHEMBL13142036 0.79 DPP4 (0.46) DPP4CYP2D6CYP3A4CYP1A2
SCHEMBL14141521 0.79 DPP4 (0.53) DPP4CYP2D6CYP3A4CYP1A2KCNH2
SCHEMBL16280709 0.78 DPP4 (0.47) DPP4CYP2D6CYP3A4CYP1A2KCNH2

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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105889-B Preparation method and application of key intermediate of DPP-IV inhibitor 山东创新药物研发有限公司 2023-06-13 CN claimed
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN claimed
CN-114105889-A Preparation method and application of DPP-IV inhibitor key intermediate 山东创新药物研发有限公司 2022-03-01 CN claimed
CN-109331019-B Preparation method of composite trelagliptin succinate tablet 安徽九华华源药业有限公司 2021-08-31 CN claimed
CN-112694465-A Novel preparation process of trelagliptin succinate 山东永丞制药有限公司 2021-04-23 CN claimed
CN-108794448-B Preparation method of trelagliptin and salt thereof 四川科伦药物研究院有限公司 2021-01-26 CN claimed
CN-109705089-B Method for purifying compound 浙江华贝药业有限责任公司 2020-04-10 CN claimed
CN-110950840-A Preparation method of trelagliptin succinate 江苏天和制药有限公司 2020-04-03 CN claimed
EP-3083580-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE Harman Finochem Limited (IN) 2016-10-26 EP claimed
CN-105541793-A Synthetic method of trelagliptin, trelagliptin synthesized through method and trelagliptin synthesis intermediate HEBEI GUOLONG PHARMACEUTICAL CO LTD 2016-05-04 CN claimed
WO-2015092805-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO claimed
US-8188275-B2 hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-29 US claimed
US-20250066310-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Hangzhou Adamerck Pharmlabs Inc. (CN) 2025-02-27 US disclosed
EP-4458813-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Hangzhou Adamerck Pharmlabs Inc. (CN) 2024-11-06 EP disclosed
CN-116410143-A Polysubstituted uracil derivative, preparation method and application thereof 杭州奥默医药股份有限公司 2023-07-11 CN disclosed
WO-2023125792-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 杭州奥默医药股份有限公司 2023-07-06 WO disclosed
US-20050261271-A1 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. 2005-11-24 US disclosed
EP-1586571-A1 Dipeptidyl peptidase inhibitors Takeda San Diego, Inc. (US) 2005-10-19 EP disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 WO disclosed
WO-2005095381-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-13 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 (2 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-20250066310-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYMP, UNG, UMPS DPP4 396/4885CYP2D6 185/4885CYP3A4 227/4885
US-20050261271-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP9 DPP4 1/4885CYP2D6 413/4885CYP3A4 90/4885

“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.