SCHEMBL252527

SCHEMBL252527

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.41
MKNK1 Q9BUB5 7/20 0.39
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM4 Q14833 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
TYK2 P29597 1/20 0.35
CYP2A6 P11509 1/20 0.34
MELK Q14680 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP3K5 Q99683 1/20 0.34
PIK3CD O00329 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL10182300 0.89 RIPK2 (0.40) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL10182192 0.86 RIPK2 (0.43) RIPK2MKNK1ADORA2AADORA2BTYK2
SCHEMBL12410472 0.83 MELK (0.44) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL252173 0.81 CA1 (0.40) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL12410544 0.81 CYP1A2 (0.46) RIPK2MKNK1ADORA2AADORA1PIK3CA
SCHEMBL10233351 0.79 RIPK2 (0.43) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL1556306 0.79 RIPK2 (0.44) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL10231809 0.78 RIPK2 (0.42) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL10233605 0.77 PTGS2 (0.52) RIPK2
SCHEMBL10233571 0.77 RIPK2 (0.42) RIPK2MKNK1ADORA2AADORA2BADORA1

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 11 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-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 645/4885MKNK1 1426/4885ADORA2A 4011/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS RIPK2 645/4885MKNK1 1426/4885ADORA2A 4011/4885

“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.