SCHEMBL11903405

SCHEMBL11903405

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2Cc1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.37
▸ PDE4B Q07343 5/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ GRIN2B Q13224 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ HSD17B13 Q7Z5P4 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ GCGR P47871 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
SCHEMBL11903040 0.89 KMO (0.39) PDE4DPDE4BPDE4APDE4CGRIN2B
SCHEMBL11903226 0.87 HDAC1 (0.39) PDE4DPDE4BFGFR1FGFR4HDAC4
SCHEMBL11903049 0.83 GAA (0.41) —
SCHEMBL11902550 0.81 HTT (0.45) HDAC4HDAC1HDAC6
SCHEMBL11902630 0.80 GRM2 (0.37) PDE4DPDE4BPDE4APDE4CGRIN2B
SCHEMBL11913401 0.79 PDE4D (0.37) PDE4DPDE4BPDE4APDE4CKDM4C
SCHEMBL11902835 0.76 EGLN1 (0.40) PDE4DFGFR1FGFR4HDAC4HDAC1
SCHEMBL11913403 0.76 GABRA2 (0.38) PDE4DPDE4BPDE4APDE4CGRIN2B
SCHEMBL11913409 0.75 ACLY (0.37) PDE4DPDE4BPDE4APDE4CSCN9A
SCHEMBL12786537 0.74 PDE4D (0.33) PDE4DPDE4BGRIN2BKDM4CFGFR1

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
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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 (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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PDE4D 3019/4885PDE4B 2195/4885PDE4A 2477/4885

“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.

Send feedback