SCHEMBL12410484

SCHEMBL12410484

c1cncc(-n2cc(-c3cccc(-c4noc(C5CC5)n4)n3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
RIPK2 O43353 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL12410503 0.83 GRM4 (0.40) PPARARAB9AKDM4EL3MBTL1NPC1
SCHEMBL12410510 0.80 HDAC6 (0.46) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1554591 0.78 GRM5 (0.46) RIPK2MKNK1
SCHEMBL1555801 0.78 FAAH (0.45) PPARARIPK2KCNH2MKNK1
SCHEMBL12410433 0.76 MKNK1 (0.39) RIPK2MKNK1
SCHEMBL12410388 0.74 MKNK1 (0.38) RIPK2MKNK1
SCHEMBL1555644 0.73 MKNK1 (0.40) RIPK2MKNK1
SCHEMBL12410509 0.73 GRM4 (0.41) RIPK2MKNK1
SCHEMBL12410490 0.73 MKNK1 (0.41) RIPK2MKNK1
SCHEMBL1555774 0.73 PPARA (0.46) PPARARIPK2CYP2C9CYP2C19MKNK1

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 PPARA 2026/4885RAB9A 1143/4885KDM4E 1859/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE PPARA 2026/4885RAB9A 1143/4885KDM4E 1859/4885

“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.