SCHEMBL12410429

SCHEMBL12410429

Ic1cncc(-n2cc(-c3cccc(-c4ncccn4)n3)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
MKNK1 Q9BUB5 15/20 0.39
MKNK2 Q9HBH9 3/20 0.36
PDE10A Q9Y233 1/20 0.35
PIM1 P11309 1/20 0.34
GRM4 Q14833 2/20 0.32

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
SCHEMBL12410390 0.85 GRM5 (0.43) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL12410590 0.85 GRM5 (0.43) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL12410434 0.83 GRM5 (0.44) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL12410532 0.82 GRM5 (0.60) GRM5MKNK1
SCHEMBL1554591 0.82 GRM5 (0.46) GRM5MKNK1MKNK2PDE10AGRM4
SCHEMBL15678975 0.77 GRM5 (0.43) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL15678960 0.76 PIM1 (0.46) GRM5MKNK1PDE10APIM1
SCHEMBL15671457 0.75 GRM5 (0.42) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL15678958 0.74 GRM5 (0.39) GRM5MKNK1MKNK2PDE10APIM1
SCHEMBL15671459 0.73 GRM5 (0.38) GRM5MKNK1PDE10APIM1GRM4

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 GRM5 1578/4885MKNK1 2220/4885MKNK2 2110/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE GRM5 1578/4885MKNK1 2220/4885MKNK2 2110/4885

“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.