SCHEMBL12410388

SCHEMBL12410388

c1cncc(-n2cc(-c3cccc(C4OCCCO4)n3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.38
RIPK2 O43353 3/20 0.38
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM5 P41594 1/20 0.36
CYP2A6 P11509 1/20 0.35
GRM4 Q14833 2/20 0.35
MTOR P42345 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
NMT1 P30419 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
SCHEMBL12410433 0.95 MKNK1 (0.39) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410500 0.88 MKNK1 (0.35) MKNK1GRM5GRM4MKNK2NMT1
SCHEMBL12410511 0.87 RIPK2 (0.39) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410482 0.86 ADORA2A (0.36) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410579 0.86 RIPK2 (0.38) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410507 0.84 MKNK1 (0.35) MKNK1RIPK2GRM5GRM4MKNK2
SCHEMBL12410535 0.83 RIPK2 (0.35) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410509 0.83 GRM4 (0.41) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410504 0.82 RIPK2 (0.41) MKNK1RIPK2ADORA2AADORA2BADORA1
SCHEMBL12410530 0.77 MKNK1 (0.37) MKNK1RIPK2ADORA2AADORA2BADORA1

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 MKNK1 2220/4885RIPK2 1635/4885ADORA2A 3858/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MKNK1 2220/4885RIPK2 1635/4885ADORA2A 3858/4885

“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.