SCHEMBL1554591

SCHEMBL1554591

c1cnc(-c2cccc(-c3cnn(-c4cccnc4)c3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MKNK1 Q9BUB5 10/20 0.43
CYP2A6 P11509 3/20 0.41
GRM4 Q14833 1/20 0.40
RIPK2 O43353 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL1555644 0.89 MKNK1 (0.40) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL12410434 0.88 GRM5 (0.44) GRM5MKNK1GRM4MKNK2PDE10A
SCHEMBL12410450 0.88 MKNK1 (0.47) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL1555801 0.86 FAAH (0.45) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL1555774 0.85 PPARA (0.46) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL12410490 0.85 MKNK1 (0.41) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL15678975 0.84 GRM5 (0.43) GRM5MKNK1GRM4MKNK2PDE10A
SCHEMBL3923984 0.83 GRM5 (0.60) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL12410406 0.82 CYP2A6 (0.42) GRM5MKNK1CYP2A6GRM4RIPK2
SCHEMBL251938 0.82 ASIC3 (0.42) GRM5MKNK1CYP2A6GRM4RIPK2

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 14 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
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
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-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
EP-2488030-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE Bayer CropScience AG (DE) 2012-08-22 EP 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
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
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 2220/4885CYP2A6 256/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE GRM5 1578/4885MKNK1 2220/4885CYP2A6 256/4885

“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.