SCHEMBL4744555

SCHEMBL4744555

FC(F)(F)c1cc(-c2ccncc2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
PDPK1 O15530 1/20 0.42
GCGR P47871 2/20 0.39
MAPK14 Q16539 2/20 0.39
IDO1 P14902 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
EPHX2 P34913 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LRRK2 Q5S007 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CDC7 O00311 1/20 0.36

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
SCHEMBL13024368 0.85 TNIK (0.47) KIF11POLBRAB9A
SCHEMBL14624000 0.83 RAB9A (0.55) POLBRAB9A
SCHEMBL6331111 0.81 AXL (0.54) GCGRMAPK14POLBRAB9A
SCHEMBL10311382 0.81 MITF (0.45) KIF11PDPK1GCGRMAPK14S1PR1
SCHEMBL22353107 0.80 ALDH1A1 (0.44) KIF11RAB9A
SCHEMBL3472227 0.80 MEN1 (0.56) RAB9A
SCHEMBL5352040 0.80 SMN1; SMN2 (0.56) POLBRAB9A
SCHEMBL4747241 0.80 CYP3A4 (0.54) IDO1S1PR1LRRK2
SCHEMBL31053637 0.80 CYP3A4 (0.54) IDO1S1PR1LRRK2
SCHEMBL15375205 0.80 CA2 (0.33) IDO1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
WO-2024215863-A2 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
CN-105814037-B N1- (the fluoro- 2- hydroxy-2-methyl propiono of 3,3,3- tri-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase 默克专利股份公司 2018-11-30 CN disclosed
EP-3083591-B1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2018-01-03 EP disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
EP-3083591-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE Merck Patent GmbH (DE) 2016-10-26 EP disclosed
CN-105814037-A N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase 默克专利股份公司 2016-07-27 CN disclosed
WO-2015090496-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
WO-2015090496-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2015-06-25 WO disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 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 (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-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE PDK1, PDK3, PDK2 KIF11 2221/4885PDPK1 20/4885GCGR 3178/4885

“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.