SCHEMBL253139

SCHEMBL253139

CS(=O)(=O)NC(=O)c1nc(-c2cnn(-c3cncc(F)c3)c2)cs1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 14/20 0.38
SLC6A9 P48067 1/20 0.34
SCN2B O60939 2/20 0.33
SCN1B Q07699 2/20 0.33
SCN9A Q15858 2/20 0.33
CHEK1 O14757 1/20 0.33
SCN5A Q14524 1/20 0.33
MELK Q14680 1/20 0.33

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
SCHEMBL18568211 0.83 RIPK2 (0.35) RIPK2SLC6A9
SCHEMBL10233537 0.83 RIPK2 (0.42) RIPK2MELK
SCHEMBL10233334 0.82 PIM1 (0.42) RIPK2SCN2BSCN1BSCN9A
SCHEMBL253887 0.80 IRAK4 (0.40) RIPK2SLC6A9SCN2BSCN1BSCN9A
SCHEMBL2626898 0.78 SCN9A (0.43) RIPK2SCN2BSCN1BSCN9ACHEK1
SCHEMBL10233521 0.71 IRAK4 (0.39) RIPK2SLC6A9SCN9A
SCHEMBL10182013 0.70 NTRK1 (0.40) RIPK2SLC6A9SCN9A
SCHEMBL3411935 0.69 RIPK2 (0.37) RIPK2SLC6A9SCN2BSCN1BSCN9A
SCHEMBL10233607 0.69 IRAK4 (0.37) RIPK2SLC6A9SCN9A
SCHEMBL15747005 0.69 PTGS2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
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-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-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
EP-2585451-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL Bayer Intellectual Property GmbH (DE) 2013-05-01 EP 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
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 RIPK2 645/4885SLC6A9 3875/4885SCN2B 2746/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS RIPK2 645/4885SLC6A9 3875/4885SCN2B 2746/4885

“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.