SCHEMBL12410485

SCHEMBL12410485

c1cncc(-n2cc(-c3cccc(-n4ccnn4)n3)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.38
GRM5 P41594 1/20 0.37
CYP2A6 P11509 1/20 0.37
GRM4 Q14833 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MTOR P42345 2/20 0.35
NOTUM Q6P988 2/20 0.35
KEAP1 Q14145 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
RIPK2 O43353 2/20 0.35
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
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
SCHEMBL12410402 0.85 KDM4E (0.41) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL12410469 0.84 MKNK1 (0.41) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL12410521 0.82 MKNK1 (0.43) MKNK1GRM5CYP2A6GRM4ADORA2A
SCHEMBL12410517 0.81 NPC1 (0.49) MKNK1GRM5CYP2A6GRM4ADORA2A
SCHEMBL12410533 0.78 TLR8 (0.39) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL12410406 0.77 CYP2A6 (0.42) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL251938 0.77 ASIC3 (0.42) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL12410569 0.77 CYP2A6 (0.42) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL12410399 0.77 MKNK1 (0.44) MKNK1GRM5CYP2A6GRM4MTOR
SCHEMBL1554591 0.76 GRM5 (0.46) MKNK1GRM5CYP2A6GRM4ADORA2A

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 7 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
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 2220/4885GRM5 1578/4885CYP2A6 256/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MKNK1 2220/4885GRM5 1578/4885CYP2A6 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.