SCHEMBL5426693

SCHEMBL5426693

FC(F)(F)c1cnn(-c2ccncn2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 4/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
KIF11 P52732 1/20 0.36
EPHX2 P34913 1/20 0.35
HDAC4 P56524 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
GCGR P47871 1/20 0.34
EGLN1 Q9GZT9 3/20 0.33
RPS6KA5 O75582 1/20 0.33
GCG P01275 3/20 0.33
TGFBR1 P36897 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GRM4 Q14833 1/20 0.33
ALKBH2 Q6NS38 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
SCHEMBL16543455 0.85 GCG (0.35) SLC34A1KIF11EGLN1RPS6KA5GCG
SCHEMBL12075257 0.78 ALKBH2 (0.54) EPHX2HDAC4EGLN1GRM4ALKBH2
SCHEMBL16566376 0.76 HSP90AA1 (0.41) EGLN1RPS6KA5TGFBR1IRAK4GRM4
SCHEMBL16547536 0.76 ALDH1A1 (0.48) CYP46A1EGLN1RPS6KA5IRAK4ALKBH2
SCHEMBL30238265 0.76 KDM4E (0.39) SLC34A1CYP46A1EPHX2GRIN1GRIN2B
SCHEMBL28606131 0.74 TRPV1 (0.43) SLC34A1EPHX2RPS6KA5GRM4
SCHEMBL11900004 0.73 EPHX2 (0.44) KIF11EPHX2HDAC4GCGREGLN1
SCHEMBL11899762 0.73 HDAC4 (0.42) KIF11EPHX2HDAC4GRIN1GRIN2B
SCHEMBL21491621 0.73 KDM4E (0.46) SLC34A1KIF11HDAC4EGLN1
SCHEMBL20075623 0.72 SLC34A1 (0.45) SLC34A1EPHX2HDAC4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153725-A1 HERBICIDALLY ACTIVE 4-(4-TRIFLUORMETHYL-6-CYCLOROPYLPYRAZOLYL)PYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2022-05-19 US disclosed
US-7312180-B2 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2007-12-25 US disclosed
US-7312180-B2 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2007-12-25 US disclosed
US-7312180-B2 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2007-12-25 US disclosed
CN-1929738-A Substituted 4- (4-trifluoromethylpyrazolyl) pyrimidines as herbicides BAYER CROPSCIENCE GMBH (DE) 2007-03-14 CN disclosed
CN-1929738-A Substituted 4- (4-trifluoromethylpyrazolyl) pyrimidines as herbicides BAYER CROPSCIENCE GMBH (DE) 2007-03-14 CN disclosed
EP-1725103-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES Bayer CropScience GmbH (DE) 2006-11-29 EP disclosed
EP-1725103-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES Bayer CropScience GmbH (DE) 2006-11-29 EP disclosed
EP-1725103-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES Bayer CropScience GmbH (DE) 2006-11-29 EP disclosed
WO-2005089551-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-09-29 WO disclosed
WO-2005089551-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-09-29 WO disclosed
WO-2005089551-A1 SUBSTITUTED 4-(4-TRIFLUOROMETHYLPYRAZOLYL)-PYRIMIDINES SERVING AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-09-29 WO disclosed
US-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2005-09-22 US disclosed
US-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2005-09-22 US disclosed
US-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2005-09-22 US 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-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines CYP4X1, DDT, CYP4F3 SLC34A1 2304/4885CYP46A1 3193/4885KIF11 3653/4885
US-20220153725-A1 HERBICIDALLY ACTIVE 4-(4-TRIFLUORMETHYL-6-CYCLOROPYLPYRAZOLYL)PYRIMIDINES DDT, CYP4X1, CYP4Z1 SLC34A1 2209/4885CYP46A1 3340/4885KIF11 2467/4885

“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.