SCHEMBL3394370

SCHEMBL3394370

NS(=O)(=O)c1cccc(-c2cnn(-c3cncnc3)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.35
MELK Q14680 2/20 0.35
GRM5 P41594 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
HSD11B1 P28845 4/20 0.31
TYK2 P29597 1/20 0.31
GRM2 Q14416 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL252173 0.88 CA1 (0.40) MKNK1MELKGRM5CA1CA2
SCHEMBL3395383 0.84 NPC1 (0.35) MKNK1MELKGRM5GRM4
SCHEMBL10233625 0.77 IRAK4 (0.46) TYK2GRM2
SCHEMBL10182056 0.76 MKNK1 (0.36) MKNK1MELKGRM5TYK2GRM2
SCHEMBL12410472 0.75 MELK (0.44) MKNK1MELKGRM5GRM4
SCHEMBL12410434 0.75 GRM5 (0.44) MKNK1GRM5MKNK2GRM4
SCHEMBL12410578 0.74 GABRA1 (0.39) MKNK1GRM5
SCHEMBL10182229 0.73 IRAK4 (0.43) MELK
SCHEMBL12410500 0.72 MKNK1 (0.35) MKNK1GRM5MKNK2GRM4
SCHEMBL10182009 0.72 IRAK4 (0.42) MKNK1

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
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
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 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 (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 MKNK1 1426/4885MELK 2040/4885GRM5 1306/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS MKNK1 1426/4885MELK 2040/4885GRM5 1306/4885

“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.