SCHEMBL5547613

SCHEMBL5547613

Cc1cnc(-n2cc(C(F)(F)F)cn2)nc1Oc1csc(C(F)(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GCG P01275 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL5551857 0.87 KMT2A (0.38) KDM4EALDH1A1GCGGCGR
SCHEMBL6723685 0.81 PRMT6 (0.37)
SCHEMBL5551399 0.80 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL5553199 0.78 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10GCGGCGR
SCHEMBL5548655 0.71 MAPT (0.34) KDM4EALDH1A1
SCHEMBL5215254 0.70 CYP1A2 (0.41) KDM4EALDH1A1
SCHEMBL5211817 0.70 NPSR1 (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL5551870 0.66 PTGS2 (0.35) GCGGCGR
SCHEMBL6181367 0.65 PRMT6 (0.38)
SCHEMBL8126929 0.65 F2 (0.37)

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 KDM4E 1185/4885ALDH1A1 282/4885HSD17B10 3428/4885
US-20060122063-A1 5-methyl-2-(4-trifluoromethyl-1H-1-pyrazolyl)-4-(5-trifluoromethyl-3-thienyloxy)pyrimidine; broadleaf herbicide CYP2F1, CYP4F2, CYP4F3 KDM4E 594/4885ALDH1A1 260/4885HSD17B10 2506/4885

“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.