SCHEMBL1647633

SCHEMBL1647633

FC(F)(F)Oc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
ABL1 P00519 4/20 0.41
GRM2 Q14416 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
S1PR1 P21453 4/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDE2A O00408 1/20 0.36
CNR1 P21554 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL1555546 0.85 S1PR1 (0.47) CYP4F2CYP4A11S1PR1
SCHEMBL1647451 0.84 DRD1 (0.40) CYP4F2CYP4A11S1PR1
SCHEMBL1646837 0.83 KIF11 (0.41) GRM2CYP4F2CYP4A11S1PR1
SCHEMBL1648134 0.83 CYP4F2 (0.41) CYP4F2CYP4A11S1PR1
SCHEMBL1646330 0.80 ATR (0.49) CYP4F2CYP4A11
SCHEMBL2161461 0.79 CA2 (0.41) CYP4F2CYP4A11S1PR1
SCHEMBL2162773 0.79 ATR (0.44) GSK3B
SCHEMBL1645147 0.78 CYP4F2 (0.47) GRM2CYP4F2CYP4A11S1PR1
SCHEMBL15332967 0.78 CYP4F2 (0.42) CYP4F2CYP4A11S1PR1RIPK3
SCHEMBL1645354 0.78 CYP4F2 (0.44) KCNH2GRM2CYP4F2CYP4A11S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN GABBR2 306/4885GABBR1 271/4885KCNH2 901/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN GABBR2 306/4885GABBR1 271/4885KCNH2 901/4885

“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.