SCHEMBL10182013

SCHEMBL10182013

CN(C)S(=O)(=O)NC(=O)c1cccc(-c2cnn(-c3cncc(F)c3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
FLT3 P36888 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
RIPK2 O43353 8/20 0.36
CLK2 P49760 2/20 0.36
LRRK2 Q5S007 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A9 P48067 1/20 0.35
SCN9A Q15858 3/20 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
SCHEMBL10233607 0.90 IRAK4 (0.37) IRAK4RIPK2CLK2LRRK2PTGS1
SCHEMBL253887 0.90 IRAK4 (0.40) IRAK4RIPK2CLK2LRRK2PTGS1
SCHEMBL10233521 0.88 IRAK4 (0.39) IRAK4RIPK2CLK2LRRK2PTGS1
SCHEMBL10183282 0.88 IRAK4 (0.41) NTRK1FLT3IRAK4CLK2LRRK2
SCHEMBL10233571 0.86 RIPK2 (0.42) NTRK1FLT3IRAK4RIPK2CLK2
SCHEMBL15747005 0.85 PTGS2 (0.49) IRAK4PTGS1PTGS2
SCHEMBL15747023 0.84 SCN9A (0.48) IRAK4RIPK2CLK2LRRK2SCN9A
SCHEMBL10233337 0.83 P4HTM (0.38) IRAK4RIPK2SCN9A
SCHEMBL18567909 0.82 IRAK4 (0.41) IRAK4RIPK2CLK2LRRK2SLC6A9
SCHEMBL10233513 0.80 GRM2 (0.44) IRAK4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS NTRK1 3944/4885FLT3 4147/4885IRAK4 4536/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS NTRK1 3944/4885FLT3 4147/4885IRAK4 4536/4885

“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.