SCHEMBL12410437

SCHEMBL12410437

FC(F)(F)c1cccc(-n2ccc(-c3cnn(-c4cccnc4)c3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.37
MAT2A P31153 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 2/20 0.35
GRM4 Q14833 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2A6 P11509 1/20 0.33
IDH1 O75874 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
RIPK2 O43353 1/20 0.33

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
SCHEMBL2181658 0.84 SMN1; SMN2 (0.36) MAT2AKDM4ESMN1; SMN2PTGS2GRM4
SCHEMBL2183687 0.84 IDH1 (0.41) MAT2AMEN1NPC1RAB9AKMT2A
SCHEMBL12410444 0.81 GRM4 (0.41) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL12410517 0.77 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2GRM4
SCHEMBL12410425 0.76 CYP2A6 (0.40) GRM4MKNK1CYP2A6ADORA2AADORA2B
SCHEMBL12410413 0.75 MKNK1 (0.41) MEN1NPC1RAB9AKMT2APTGS2
SCHEMBL12410420 0.74 RIPK2 (0.37) GRM4MKNK1CYP2A6ADORA2AADORA2B
SCHEMBL12410402 0.74 KDM4E (0.41) KDM4EALDH1A1GRM4MKNK1CYP2A6
SCHEMBL12410430 0.74 GRM4 (0.41) MAT2AMEN1NPC1RAB9AKMT2A
SCHEMBL12410392 0.73 ADORA2A (0.40) MAT2AMEN1NPC1RAB9AKMT2A

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 7 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

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 IRAK4 4735/4885MAT2A 3059/4885KDM4E 1859/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE IRAK4 4735/4885MAT2A 3059/4885KDM4E 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.