SCHEMBL252173

SCHEMBL252173

NS(=O)(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
MKNK1 Q9BUB5 5/20 0.39
GRM5 P41594 1/20 0.38
PTGS2 P35354 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2A6 P11509 2/20 0.38
RIPK2 O43353 3/20 0.37
MTOR P42345 2/20 0.37
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
GRM4 Q14833 1/20 0.37
MELK Q14680 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL12410472 0.88 MELK (0.44) MKNK1GRM5PTGS2ADORA2AADORA2B
SCHEMBL3394370 0.88 MKNK1 (0.35) CA1CA2CA4CA7MKNK1
SCHEMBL3395383 0.82 NPC1 (0.35) MKNK1GRM5PTGS2GRM4MELK
SCHEMBL252527 0.81 RIPK2 (0.41) MKNK1GRM5ADORA2AADORA2BADORA1
SCHEMBL251938 0.81 ASIC3 (0.42) MKNK1GRM5ADORA2AADORA2BADORA1
SCHEMBL10182300 0.79 RIPK2 (0.40) MKNK1ADORA2AADORA2BADORA1RIPK2
SCHEMBL12410399 0.78 MKNK1 (0.44) MKNK1GRM5ADORA2AADORA2BADORA1
SCHEMBL12410406 0.78 CYP2A6 (0.42) MKNK1GRM5ADORA2AADORA2BADORA1
SCHEMBL12410569 0.78 CYP2A6 (0.42) MKNK1GRM5ADORA2AADORA2BADORA1
SCHEMBL18567903 0.78 GRM2 (0.46) MKNK1RIPK2MTOR

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 14 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
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
CN-103119036-A Heterocyclic Compounds as Pesticides BAYER IP GMBH 2013-05-22 CN 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
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 CA1 2461/4885CA2 2526/4885CA4 2762/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA1 2461/4885CA2 2526/4885CA4 2762/4885

“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.