SCHEMBL2529138

SCHEMBL2529138

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
NOTUM Q6P988 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 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
SCHEMBL362563 0.91 KDM4E (0.39) PDK2CA1CA2KDM4EF2
SCHEMBL23778641 0.91 KDM4E (0.39) PDK2CA1CA2KDM4EF2
SCHEMBL3108151 0.91 PDK2 (0.36) PDK2CA1CA2KDM4EF2
SCHEMBL11960920 0.90 ABL1 (0.44) PDK2CA1CA2KDM4EF2
SCHEMBL738679 0.90 CA1 (0.37) PDK2CA1CA2KDM4EF2
SCHEMBL738428 0.90 NOTUM (0.39) PDK2CA1CA2KDM4EF2
SCHEMBL738671 0.90 PDK2 (0.36) PDK2CA1CA2KDM4EF2
SCHEMBL1799389 0.89 NPC1 (0.36) PDK2CA1CA2KDM4EF2
SCHEMBL1468195 0.89 KDM4E (0.37) PDK2CA1CA2KDM4EF2
SCHEMBL3659569 0.89 PDK2 (0.35) PDK2CA1CA2KDM4EF2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382196-B1 IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-12 EP disclosed
US-8722673-B2 Imine compounds for combating invertebrate pests BASF SE (DE) 2014-05-13 US disclosed
US-8633134-B2 Substituted amidine compounds for combating animal pests BASF SE (DE) 2014-01-21 US disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
EP-2382196-A2 IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-11-02 EP disclosed
EP-2382195-A1 SUBSTITUTED AMIDINE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-11-02 EP disclosed
US-20110263603-A1 Imine Compounds for Combating Invertebrate Pests BASF SE (DE) 2011-10-27 US disclosed
US-20110257011-A1 Substituted Amidine Compounds for Combating Animal Pests BASF SE (US) 2011-10-20 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
WO-2010072602-A1 SUBSTITUTED AMIDINE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-07-01 WO disclosed
WO-2010072781-A2 IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2010-07-01 WO disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 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 (3 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-20110263603-A1 Imine Compounds for Combating Invertebrate Pests INMT, PNMT, PIR PDK2 1587/4885CA1 4820/4885CA2 4729/4885
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 PDK2 625/4885CA1 4328/4885CA2 1990/4885
US-20110257011-A1 Substituted Amidine Compounds for Combating Animal Pests C5, C3AR1, C1S PDK2 3746/4885CA1 2108/4885CA2 2539/4885

“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.