SCHEMBL12410504

SCHEMBL12410504

CC1CC(C)OC(c2cccc(-c3cnn(-c4cccnc4)c3)n2)O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.41
GRM4 Q14833 1/20 0.39
MKNK1 Q9BUB5 11/20 0.38
GRM5 P41594 1/20 0.37
MKNK2 Q9HBH9 2/20 0.36
PIK3CD O00329 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL12410509 0.90 GRM4 (0.41) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410433 0.84 MKNK1 (0.39) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410511 0.83 RIPK2 (0.39) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410388 0.82 MKNK1 (0.38) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410579 0.82 RIPK2 (0.38) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410482 0.80 ADORA2A (0.36) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410535 0.77 RIPK2 (0.35) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL1554591 0.75 GRM5 (0.46) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL12410406 0.74 CYP2A6 (0.42) RIPK2GRM4MKNK1GRM5MKNK2
SCHEMBL251938 0.74 ASIC3 (0.42) RIPK2GRM4MKNK1GRM5MKNK2

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 RIPK2 1635/4885GRM4 1196/4885MKNK1 2220/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE RIPK2 1635/4885GRM4 1196/4885MKNK1 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.