SCHEMBL122906

SCHEMBL122906

CCNc1nc2nc(C(F)(F)F)c(C(=O)O)cc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 1/20 0.33
LRRK2 Q5S007 6/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
ASPH Q12797 1/20 0.31
RIOX2 Q8IUF8 1/20 0.31
KDM8 Q8N371 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL124793 0.88 GFER (0.32) GFERKDM4EASPHRIOX2KDM8
SCHEMBL123920 0.87 GFER (0.32) GFERKDM4EMAPT
SCHEMBL126894 0.86 KDM4E (0.48) KDM4EMAPTNPSR1ALDH1A1
SCHEMBL123860 0.86 PTPN1 (0.37) GFERLRRK2ASPHKEAP1NFE2L2
SCHEMBL124481 0.85 USP2 (0.35) ALDH1A1
SCHEMBL122661 0.81 GABRP (0.36) GFERKDM4ENPSR1KEAP1NFE2L2
SCHEMBL124994 0.79 ROCK2 (0.43) LRRK2
SCHEMBL124482 0.79 GFER (0.32) GFER
SCHEMBL126280 0.79 GFER (0.43) GFERKDM4ENPSR1ASPHALDH1A1
SCHEMBL126379 0.79 GFER (0.38) GFERKDM4EASPHKDM8KEAP1

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 GFER 986/4885KDM4E 1231/4885MAPT 4399/4885

“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.