SCHEMBL12410399

SCHEMBL12410399

Clc1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.44
RIPK2 O43353 3/20 0.43
CYP2A6 P11509 2/20 0.42
GRM5 P41594 1/20 0.41
GRM4 Q14833 2/20 0.41
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MTOR P42345 2/20 0.37
MKNK2 Q9HBH9 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36

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
SCHEMBL12410569 0.83 CYP2A6 (0.42) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL251938 0.83 ASIC3 (0.42) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410406 0.83 CYP2A6 (0.42) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410469 0.82 MKNK1 (0.41) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL1554591 0.82 GRM5 (0.46) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410491 0.81 RIPK2 (0.39) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410489 0.80 MKNK1 (0.40) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL1554755 0.80 GRM5 (0.50) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410583 0.80 MKNK1 (0.40) MKNK1RIPK2CYP2A6GRM5GRM4
SCHEMBL12410435 0.80 MKNK1 (0.49) MKNK1RIPK2CYP2A6GRM5GRM4

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 1635/4885CYP2A6 256/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MKNK1 2220/4885RIPK2 1635/4885CYP2A6 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.