SCHEMBL2903040

SCHEMBL2903040

FC(F)(F)c1[c]cnn1-c1cccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
HSD11B1 P28845 3/20 0.32
RPS6KA5 O75582 1/20 0.30
TRPA1 O75762 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL2895165 0.89 CYP17A1 (0.32) CYP17A1P2RX7
SCHEMBL2901157 0.80 RXRA (0.35) P2RX7HSD11B1
SCHEMBL2893944 0.79 TRPA1 (0.41) CYP17A1EPHX2TRPV1HSD11B1TRPA1
SCHEMBL2897752 0.79 EPHX2 (0.47) CYP17A1EPHX2TRPV1HSD11B1
SCHEMBL2902968 0.77
SCHEMBL2893959 0.76 ALDH1A1 (0.42) TRPV1HSD11B1
SCHEMBL2902281 0.76 OXTR (0.31)
SCHEMBL2897492 0.74 ALDH1A1 (0.37) HSD11B1
SCHEMBL1304709 0.74 OXTR (0.46) CYP17A1TRPV1
SCHEMBL2897661 0.73 EPHX2 (0.35) CYP17A1EPHX2TRPV1HSD11B1

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 CYP17A1 4454/4885EPHX2 2167/4885P2RX7 741/4885

“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.