SCHEMBL12410593

SCHEMBL12410593

c1cncc(-n2cc(-c3ccncn3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
GRM4 Q14833 5/20 0.46
PDE10A Q9Y233 2/20 0.44
MKNK1 Q9BUB5 5/20 0.43
GRM5 P41594 1/20 0.43
RIPK2 O43353 2/20 0.39
HTR2B P41595 1/20 0.39
MTNR1A P48039 1/20 0.39
KCNH2 Q12809 1/20 0.39
MTOR P42345 1/20 0.38
CYP2E1 P05181 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL28245414 0.86 PDE10A (0.46) GRM4PDE10AMKNK1GRM5HTR2B
SCHEMBL3923984 0.84 GRM5 (0.60) CYP2A6GRM4PDE10AMKNK1GRM5
SCHEMBL12410587 0.82 CYP2A6 (0.56) CYP2A6GRM4RIPK2HTR2BMTNR1A
SCHEMBL5668065 0.81 GRM4 (0.48) GRM4PDE10AMKNK1GRM5HTR2B
SCHEMBL8354922 0.81 GRM5 (0.48) GRM4PDE10AMKNK1GRM5MKNK2
SCHEMBL5662955 0.81 GRM5 (0.51) GRM4PDE10AMKNK1GRM5HTR2B
SCHEMBL12410450 0.80 MKNK1 (0.47) CYP2A6GRM4MKNK1GRM5RIPK2
SCHEMBL12410565 0.80 MELK (0.54) CYP2A6GRM4MKNK1RIPK2HTR2B
SCHEMBL12203764 0.79 PDE10A (0.46) GRM4PDE10AMKNK1GRM5
SCHEMBL5218758 0.78 PDE10A (0.46) GRM4PDE10AMKNK1GRM5MKNK2

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 CYP2A6 256/4885GRM4 1196/4885PDE10A 418/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CYP2A6 256/4885GRM4 1196/4885PDE10A 418/4885

“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.