SCHEMBL251938

SCHEMBL251938

Nc1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.42
CYP2A6 P11509 2/20 0.42
MKNK1 Q9BUB5 7/20 0.42
GRM5 P41594 1/20 0.41
GRM4 Q14833 1/20 0.41
MTOR P42345 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
RIPK2 O43353 3/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTK2 Q05397 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
PDE10A Q9Y233 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) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL12410406 0.83 CYP2A6 (0.42) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL12410399 0.83 MKNK1 (0.44) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL1554591 0.82 GRM5 (0.46) CYP2A6MKNK1GRM5GRM4ADORA2A
SCHEMBL12410469 0.82 MKNK1 (0.41) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL18567903 0.81 GRM2 (0.46) MKNK1MTORRIPK2
SCHEMBL1555161 0.81 IRAK4 (0.39) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL1555424 0.81 GRM5 (0.40) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL252173 0.81 CA1 (0.40) CYP2A6MKNK1GRM5GRM4MTOR
SCHEMBL12410435 0.80 MKNK1 (0.49) CYP2A6MKNK1GRM5GRM4ADORA2A

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 20 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-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 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-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
CN-103119036-A Heterocyclic Compounds as Pesticides BAYER IP GMBH 2013-05-22 CN disclosed
EP-2585451-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 WO disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 WO 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 (4 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS ASIC3 3595/4885CYP2A6 777/4885MKNK1 1426/4885
US-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE ASIC3 3833/4885CYP2A6 256/4885MKNK1 2220/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS ASIC3 3595/4885CYP2A6 777/4885MKNK1 1426/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE ASIC3 3833/4885CYP2A6 256/4885MKNK1 2220/4885

“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.