SCHEMBL2684428

SCHEMBL2684428

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc(NCc2ncccc2C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.37
ADORA1 P30542 8/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ACLY P53396 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
BDKRB1 P46663 1/20 0.35
CYP1A2 P05177 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL11913401 0.93 PDE4D (0.37) PDE4APDE4BPDE4CPDE4DACLY
SCHEMBL2683381 0.89 ACLY (0.37) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL11902751 0.83 CYP1A2 (0.44) MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL2683282 0.81 ADORA2A (0.35) ADORA2AADORA1DYRK1BHSP90AA1ABL1
SCHEMBL11913409 0.81 ACLY (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2684650 0.81 ADORA2A (0.41) ADORA2AADORA1ABL1SRC
SCHEMBL1608896 0.80 APP (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2684426 0.78 PDE4D (0.37) PDE4APDE4BPDE4CPDE4DACLY
SCHEMBL11902905 0.78 HTT (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL11903155 0.78 CRHR1 (0.40) PDE4APDE4BPDE4CPDE4DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ADORA2A 1356/4885ADORA1 2399/4885PDE4A 1498/4885

“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.