SCHEMBL5548655

SCHEMBL5548655

FC(F)(F)c1cnn(-c2cccc(Oc3csc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE10A Q9Y233 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
P2RX7 Q99572 1/20 0.30
SLC34A1 Q06495 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8121468 0.77 MAPT (0.52) MAPTMAPK1ALDH1A1PDE4BPOLB
SCHEMBL31452713 0.75 GABRA1 (0.39) EPHX2ALDH1A1PDE10AKDM4E
SCHEMBL5548596 0.75 CHRM5 (0.38) MAPTMAPK1
SCHEMBL12075244 0.74 EPHX2 (0.45) MAPTEPHX2ALDH1A1NPC1RAB9A
SCHEMBL5551717 0.72 KMT2A (0.46) MAPTEPHX2ALDH1A1NPC1RAB9A
SCHEMBL5547613 0.71 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL5551857 0.70 KMT2A (0.38) MAPTALDH1A1KDM4E
SCHEMBL8126331 0.69 KDM4E (0.46) MAPTMAPK1ALDH1A1NPC1RAB9A
SCHEMBL8111372 0.69 MMP13 (0.37) ALDH1A1KDM4E
SCHEMBL8120652 0.68 MAPT (0.46) MAPTMAPK1ALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211673-B2 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines BAYER CROPSCIENCE GMBH (DE) 2007-05-01 US disclosed
US-20060122063-A1 5-methyl-2-(4-trifluoromethyl-1H-1-pyrazolyl)-4-(5-trifluoromethyl-3-thienyloxy)pyrimidine; broadleaf herbicide BAYER CROPSCIENCE GMBH (DE) 2006-06-08 US disclosed
US-7022650-B2 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines BAYER CROPSCIENCE GMBH (DE) 2006-04-04 US disclosed
EP-1527069-A2 PYRIDINES AND PYRIMIDINES SUBSTITUTED BY 4-TRIFLUOROMETHYLPYRAZOLYL Bayer CropScience GmbH (DE) 2005-05-04 EP disclosed
US-20040072692-A1 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines BAYER CROPSCIENCE AG (DE) 2004-04-15 US disclosed
WO-2004013131-A2 PYRIDINES AND PYRIMIDINES SUBSTITUTED BY 4-TRIFLUOROMETHYLPYRAZOLYL BAYER CROPSCIENCE GMBH (DE) 2004-02-12 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-20040072692-A1 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines CYP4X1, ROS1, NOX4 MAPT 3908/4885MAPK1 1700/4885EPHX2 1008/4885
US-20060122063-A1 5-methyl-2-(4-trifluoromethyl-1H-1-pyrazolyl)-4-(5-trifluoromethyl-3-thienyloxy)pyrimidine; broadleaf herbicide CYP2F1, CYP4F2, CYP4F3 MAPT 3545/4885MAPK1 3549/4885EPHX2 991/4885

“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.