SCHEMBL516607

SCHEMBL516607

COC(=O)c1cccc2c(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.37
PSMD14 O00487 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 4/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AURKB Q96GD4 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
RORC P51449 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ITGB1 P05556 1/20 0.30

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
SCHEMBL869547 0.86 PDK2 (0.42) PDK2KDM4EF2F10PRSS1
SCHEMBL30656566 0.83 PDK2 (0.41) PDK2KDM4EMRGPRX4MAPK1F2
SCHEMBL1937598 0.82 PDK2 (0.36) PDK2KDM4EMAPK1CA1CA2
SCHEMBL516408 0.82 ENPP3 (0.33)
SCHEMBL869871 0.81 PDK2 (0.40) PDK2KDM4ECA1CA2
SCHEMBL16692835 0.81 PDK2 (0.40) PDK2KDM4EMAPK1
SCHEMBL1936965 0.80 FABP4 (0.34) PDK2CA1CA2ITGB1ITGA4
SCHEMBL1938202 0.80 PDK2 (0.33) PDK2HSD17B10CA1CA2
SCHEMBL516796 0.80 PTGDR2 (0.35)
SCHEMBL980171 0.80 PDK2 (0.39) PDK2KDM4EMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414353-A1 ISOXAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2012-02-08 EP disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 US disclosed
WO-2010112545-A1 ISOXAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2010-10-07 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 (1 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-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 PDK2 583/4885PSMD14 603/4885PIM1 2494/4885

“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.