Ethyl 4-Pyridylketone

Ethyl 4-Pyridylketone

SCHEMBL805505

CCC(=O)c1ccncc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.57
PLOD3 O60568 2/20 0.57
PLOD1 Q02809 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
HIF1A Q16665 1/20 0.57
NAPRT Q6XQN6 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.50
MPO P05164 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2A6 P11509 1/20 0.50
KMT2A Q03164 2/20 0.48

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
SCHEMBL25139837 0.87 MAPT (0.66) PLOD2PLOD3PLOD1CYP1A2CYP3A4
Ethyl 4-Pyridylketone SCHEMBL31726137 0.85 PLOD2 (0.52) PLOD2PLOD3PLOD1CYP1A2CYP3A4
Propiophenone SCHEMBL28271870 0.83 L3MBTL1 (0.60) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL19076171 0.82 HDAC1 (0.59) PLOD2PLOD3PLOD1CYP1A2CYP3A4
Propyl 4-Pyridyl Ketone SCHEMBL4952700 0.82 HSD17B3 (0.61) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL8051337 0.82 SMN1; SMN2 (0.70) ALDH1A1HPGDL3MBTL1MAPTSMN1; SMN2
SCHEMBL15988710 0.80 CYP2C19 (0.61) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL10948430 0.80 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP1A2CYP3A4
SCHEMBL5473602 0.80 KDM4E (0.73) ALDH1A1L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL7220547 0.79 HSD17B3 (0.63) PLOD2PLOD3PLOD1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915149-B1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AETERNA ZENTARIS GMBH (DE) 2018-10-10 EP claimed
CN-106317073-B A kind of α of lavo-ofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application HENAN UNIVERSITY (CN) 2018-08-31 CN claimed
CN-106317083-B A kind of α of Rufloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-08-31 CN claimed
CN-106317074-B A kind of α of Ofloxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application HENAN UNIVERSITY (CN) 2018-08-31 CN claimed
CN-106317054-B A kind of α of Enoxacin, alpha, beta-unsaturated ketone derivative and its preparation method and application 河南大学 2018-07-31 CN claimed
CN-106277159-A A kind of methylene blue and the processing method of Congo red organic pollution 渤海大学 2017-01-04 CN claimed
EP-1691610-B1 METHOD FOR MODIFYING THE BEHAVIOUR OF THRIPS WITH PYRIDINE DERIVATIVES NZ INST PLANT & FOOD RES LTD (NZ) 2016-03-09 EP claimed
US-8962003-B2 Insect behaviour modifying compounds THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2015-02-24 US claimed
US-8710089-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2014-04-29 US claimed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 US claimed
US-20080241205-A1 Insect Behaviour Modifying Compounds THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2008-10-02 US claimed
WO-2008098977-A1 NOVEL TRIAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-08-21 WO claimed
EP-1958631-A1 Novel triazole derivatives as ligands of G-protein coupled receptors AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
EP-1915149-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AEterna Zentaris GmbH (DE) 2008-04-30 EP claimed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US claimed
EP-1757290-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors Zentaris GmbH (DE) 2007-02-28 EP claimed
WO-2007020013-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2007-02-22 WO claimed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 US claimed
EP-1691610-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS New Zealand Institute for Crop & Food Research Limited and Plant Research International B.V. (NL) 2006-08-23 EP claimed
WO-2005046330-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2005-05-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 PLOD2 2569/4885PLOD3 793/4885PLOD1 2791/4885
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 PLOD2 2569/4885PLOD3 793/4885PLOD1 2791/4885
US-20080241205-A1 Insect Behaviour Modifying Compounds PNMT, ACHE, THOP1 PLOD2 3342/4885PLOD3 3482/4885PLOD1 4247/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 PLOD2 2569/4885PLOD3 793/4885PLOD1 2791/4885

“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.