SCHEMBL12410482

SCHEMBL12410482

c1cncc(-n2cc(-c3cccc(C4OCC5(CC5)CO4)n3)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
RIPK2 O43353 3/20 0.36
MKNK1 Q9BUB5 9/20 0.35
MTOR P42345 2/20 0.35
GRM5 P41594 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
GRM4 Q14833 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP2A6 P11509 1/20 0.33
MKNK2 Q9HBH9 1/20 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
SCHEMBL12410579 0.89 RIPK2 (0.38) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410433 0.88 MKNK1 (0.39) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410535 0.87 RIPK2 (0.35) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410388 0.86 MKNK1 (0.38) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410511 0.84 RIPK2 (0.39) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410509 0.80 GRM4 (0.41) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410504 0.80 RIPK2 (0.41) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410491 0.75 RIPK2 (0.39) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL1554591 0.74 GRM5 (0.46) ADORA2AADORA2BADORA1RIPK2MKNK1
SCHEMBL12410500 0.74 MKNK1 (0.35) MKNK1GRM5GRM4MKNK2

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 6 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-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 ADORA2A 3858/4885ADORA2B 4487/4885ADORA1 4616/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE ADORA2A 3858/4885ADORA2B 4487/4885ADORA1 4616/4885

“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.