SCHEMBL1006079

SCHEMBL1006079

Nc1cc(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 8/20 0.40
PTGS1 P23219 5/20 0.40
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
NR3C2 P08235 1/20 0.34
MAT2A P31153 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KLKB1 P03952 1/20 0.33
PDPK1 O15530 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
SCHEMBL29395908 0.82 KDM4E (0.42) KDM4EL3MBTL1HSD17B10
SCHEMBL30952807 0.81 KDM4E (0.36) KDM4EL3MBTL1
SCHEMBL6343666 0.80 KDM4E (0.50) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL537457 0.79 KDM4E (0.44) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL1012734 0.75 PTGS1 (0.63) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL15209248 0.74 KDM4E (0.47) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL20028176 0.73 KLKB1 (0.53) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL20028177 0.72 KLKB1 (0.46) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL13014987 0.72 PTGS2 (0.49) KDM4EL3MBTL1MAPTALDH1A1MEN1
SCHEMBL824603 0.72 CYP1A2 (0.56) KDM4EL3MBTL1ALDH1A1MEN1KMT2A

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
WO-2024121261-A1 INSECTICIDAL COMPOUND BASED ON PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 WO disclosed
EP-2125789-B1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2011-03-16 EP disclosed
EP-2275422-A1 Pyrimidinylpyrazoles as insecticide and parasiticide agents Bayer CropScience AG (DE) 2011-01-19 EP disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
EP-2125789-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS Bayer CropScience AG (DE) 2009-12-02 EP disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT KDM4E 2464/4885L3MBTL1 2853/4885MAPT 4053/4885

“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.