SCHEMBL124994

SCHEMBL124994

O=C(O)c1cc2cc(F)c(NC3CC3)nc2nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
TLR7 Q9NYK1 1/20 0.34
KIT P10721 2/20 0.33
FLT3 P36888 2/20 0.33
GPR6 P46095 9/20 0.33
MDM2 Q00987 3/20 0.33
LRRK2 Q5S007 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL125152 0.83 KDM4E (0.46) ROCK2ROCK1
SCHEMBL123860 0.82 PTPN1 (0.37) LRRK2
SCHEMBL122906 0.79 GFER (0.34) LRRK2
SCHEMBL124793 0.79 GFER (0.32)
SCHEMBL125619 0.79 MAPT (0.34)
SCHEMBL123920 0.76 GFER (0.32)
SCHEMBL124482 0.75 GFER (0.32)
SCHEMBL126280 0.75 GFER (0.43)
SCHEMBL126379 0.75 GFER (0.38)
SCHEMBL124481 0.74 USP2 (0.35) GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ROCK2 2038/4885ROCK1 1066/4885TLR7 2112/4885

“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.