SCHEMBL2897752

SCHEMBL2897752

FC(F)(F)c1cccnc1-n1nc[c]c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
CYP17A1 P05093 1/20 0.46
GAA P10253 1/20 0.41
HSD11B1 P28845 7/20 0.41
TRPV1 Q8NER1 5/20 0.41
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2897661 0.85 EPHX2 (0.35) EPHX2CYP17A1GAAHSD11B1TRPV1
SCHEMBL2893944 0.85 TRPA1 (0.41) EPHX2CYP17A1HSD11B1TRPV1
SCHEMBL16927647 0.79 CYP1A2 (0.47) GAAHSD11B1MAPTHTT
SCHEMBL2903040 0.79 CYP17A1 (0.35) EPHX2CYP17A1HSD11B1TRPV1
SCHEMBL2893959 0.79 ALDH1A1 (0.42) HSD11B1TRPV1MAPTHTT
SCHEMBL2902281 0.78 OXTR (0.31)
SCHEMBL2900240 0.76 EPHX2 (0.40) EPHX2CYP17A1GAAHSD11B1TRPV1
SCHEMBL1304709 0.76 OXTR (0.46) CYP17A1GAATRPV1HTT
SCHEMBL2896799 0.76 EPHX2 (0.39) EPHX2CYP17A1GAAHSD11B1TRPV1
SCHEMBL2902790 0.74 CYP17A1 (0.39) CYP17A1GAAHSD11B1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 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 (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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR EPHX2 2167/4885CYP17A1 4454/4885GAA 2373/4885

“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.