SCHEMBL6780438

SCHEMBL6780438

FC(F)(F)c1ccnc(N2C=CON2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
EGLN2 Q96KS0 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP17A1 P05093 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPT P10636 2/20 0.33
LCAT P04180 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6972708 0.70 ADRB1 (0.49) ADRB1NOS3NOS2NPSR1EGLN2
SCHEMBL21858471 0.70 ADRB1 (0.60) ADRB1NOS3NOS2NPSR1EGLN2
SCHEMBL876752 0.67 NOS3 (0.36) NOS3NOS2KDM4ECDC7CDK2
SCHEMBL18176129 0.66 ADRB1 (0.73) ADRB1NOS3NOS2NPSR1KDM4E
SCHEMBL24363082 0.66 ADRB1 (0.68) ADRB1KDM4ECYP2D6FFAR4MAPT
SCHEMBL210342 0.66 ADRB1 (1.00) ADRB1KDM4ECYP2D6L3MBTL1MAPK1
SCHEMBL30567166 0.66 ADRB1 (1.00) ADRB1KDM4ECYP2D6L3MBTL1MAPK1
SCHEMBL24008459 0.65 ADRB1 (0.71) ADRB1NOS3NOS2NPSR1KDM4E
Hydrochloric Acid SCHEMBL31061195 0.65 ADRB1 (0.97) ADRB1KDM4ECYP2D6L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL3327814 0.65 ADRB1 (0.97) ADRB1KDM4ECYP2D6L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US claimed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US claimed
EP-1140922-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP claimed
WO-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO claimed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
EP-1140922-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
EP-1140922-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
WO-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
WO-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD ADRB1 712/4885NOS3 4365/4885NOS2 4850/4885

“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.