SCHEMBL12410397

SCHEMBL12410397

CN(C)C(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.42
IRAK4 Q9NWZ3 5/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MKNK1 Q9BUB5 4/20 0.39
CYP2A6 P11509 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
GRM4 Q14833 1/20 0.38
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
PIK3CD O00329 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
SCHEMBL1556306 0.87 RIPK2 (0.44) RIPK2IRAK4MKNK1CYP2A6ADORA2A
SCHEMBL18567903 0.85 GRM2 (0.46) RIPK2IRAK4MKNK1
SCHEMBL12410498 0.84 RIPK2 (0.42) RIPK2IRAK4MKNK1CYP2A6ADORA2A
SCHEMBL12710045 0.82 MKNK1 (0.41) RIPK2IRAK4MKNK1CYP2A6ADORA2A
SCHEMBL10233571 0.82 RIPK2 (0.42) RIPK2IRAK4MKNK1ADORA2AADORA2B
SCHEMBL1555625 0.81 MKNK1 (0.42) RIPK2IRAK4MKNK1ADORA2AADORA2B
SCHEMBL12410560 0.81 CYP1A2 (0.48) RIPK2MKNK1ADORA2AADORA2BADORA1
SCHEMBL10233351 0.81 RIPK2 (0.43) RIPK2IRAK4MKNK1ADORA2AADORA2B
SCHEMBL12410367 0.80 MKNK1 (0.39) RIPK2IRAK4MKNK1CYP2A6ADORA2A
SCHEMBL1555161 0.80 IRAK4 (0.39) RIPK2IRAK4MKNK1CYP2A6ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE RIPK2 1635/4885IRAK4 4735/4885KEAP1 78/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE RIPK2 1635/4885IRAK4 4735/4885KEAP1 78/4885

“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.