SCHEMBL12410310

SCHEMBL12410310

N/C(=N\O)c1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
MKNK1 Q9BUB5 6/20 0.37
GRM5 P41594 1/20 0.37
RIPK2 O43353 3/20 0.36
CYP2A6 P11509 1/20 0.36
GRM4 Q14833 1/20 0.36
GRM2 Q14416 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TGFBR1 P36897 1/20 0.33
TYK2 P29597 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL1556175 1.00 IRAK4 (0.38) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL1555161 0.86 IRAK4 (0.39) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL18567903 0.86 GRM2 (0.46) IRAK4MKNK1RIPK2GRM2TGFBR1
SCHEMBL1555424 0.86 GRM5 (0.40) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL12410367 0.81 MKNK1 (0.39) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL1556306 0.81 RIPK2 (0.44) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL12710045 0.81 MKNK1 (0.41) IRAK4MKNK1GRM5RIPK2CYP2A6
SCHEMBL12500128 0.80 RIPK2 (0.40) IRAK4MKNK1RIPK2GRM4GRM2
SCHEMBL12410520 0.80 RIPK2 (0.40) IRAK4MKNK1RIPK2GRM4GRM2
SCHEMBL1556174 0.79 MKNK1 (0.39) IRAK4MKNK1GRM5RIPK2CYP2A6

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 IRAK4 4735/4885MKNK1 2220/4885GRM5 1578/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE IRAK4 4735/4885MKNK1 2220/4885GRM5 1578/4885

“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.