SCHEMBL12410410

SCHEMBL12410410

CC(C)(C)OC(=O)Nc1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.42
NAMPT P43490 2/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
HTT P42858 1/20 0.41
RIPK2 O43353 3/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
MKNK1 Q9BUB5 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SCN9A Q15858 3/20 0.39
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
BCL2 P10415 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
SCHEMBL12410544 0.85 CYP1A2 (0.46) MAP3K5RIPK2MKNK1
SCHEMBL12410572 0.82 RIPK2 (0.40) MAP3K5DYRK1ARIPK2MKNK1IRAK4
SCHEMBL2689818 0.80 NAMPT (0.54) NAMPTHTTRIPK2GRM5GRM1
SCHEMBL253332 0.77 SCN9A (0.44) RIPK2MKNK1SCN9A
SCHEMBL12410451 0.76 DYRK1B (0.47) RIPK2GRM5MKNK1
SCHEMBL1556306 0.75 RIPK2 (0.44) RIPK2GRM5GRM1MKNK1IRAK4
SCHEMBL10182269 0.75 MKNK1 (0.41) RIPK2MKNK1
SCHEMBL12410399 0.73 MKNK1 (0.44) RIPK2GRM5MKNK1
SCHEMBL18567903 0.73 GRM2 (0.46) RIPK2MKNK1IRAK4SCN9A
SCHEMBL12410413 0.73 MKNK1 (0.41) RIPK2GRM5MKNK1RAB9A

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-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

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 MAP3K5 4143/4885NAMPT 604/4885GSK3B 3730/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MAP3K5 4143/4885NAMPT 604/4885GSK3B 3730/4885

“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.