SCHEMBL1008191

SCHEMBL1008191

N#CC(C(=O)C(F)(F)F)c1ccc(F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.40
RAPGEF3 O95398 2/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
S1PR3 Q99500 4/20 0.37
S1PR1 P21453 3/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.35
SLC2A1 P11166 1/20 0.35
HTT P42858 1/20 0.35
RPA1 P27694 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL20767316 0.88 SLC6A3 (0.41) MDM2S1PR3S1PR2S1PR4LMNA
SCHEMBL166050 0.83 HDAC4 (0.41) S1PR3LMNAHTTTSHRL3MBTL1
SCHEMBL4170313 0.82 MDM2 (0.42) MDM2RAPGEF3S1PR3S1PR1S1PR2
SCHEMBL5141561 0.82 MDM2 (0.42) MDM2RAPGEF3S1PR3S1PR1S1PR2
SCHEMBL1005803 0.81 PPARD (0.33) S1PR3S1PR1L3MBTL1SLC6A3
SCHEMBL7271607 0.80 GRN (0.35) RAPGEF3
SCHEMBL8765615 0.78 LMNA (0.49) LMNAHTT
SCHEMBL16397799 0.77 S1PR3 (0.41) MDM2DPP4DPP7S1PR3S1PR1
SCHEMBL9956248 0.75 PDK1 (0.30)
SCHEMBL5729690 0.75 MAPT (0.41) LMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MDM2 3597/4885RAPGEF3 759/4885DPP4 93/4885

“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.