SCHEMBL3841889

SCHEMBL3841889

COc1c(Br)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ADORA3 P0DMS8 6/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA2B P29275 2/20 0.35
FYN P06241 2/20 0.34
RIPK1 Q13546 1/20 0.34
ADORA1 P30542 1/20 0.34
BRAF P15056 1/20 0.33
METAP2 P50579 1/20 0.33
PTK2 Q05397 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL3859281 0.93 HSD17B10 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL1919622 0.89 ALDH1A1 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL3837464 0.87 ADORA3 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL3841828 0.86 RIPK1 (0.36) ADORA3KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL3838090 0.84 HSD17B10 (0.34) ADORA3KDM4EHSD17B10IDO1TDO2
SCHEMBL3836713 0.84 ALDH1A1 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA2B
SCHEMBL29557042 0.83 ALDH1A1 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA1
SCHEMBL16035555 0.83 ALDH1A1 (0.38) ADORA3KDM4EHSD17B10ADORA2AADORA1
SCHEMBL2470473 0.83 ALOX5AP (0.47) ALOX5APFEN1HSD17B10METAP2
SCHEMBL3839336 0.82 KDM4E (0.43) ADORA3KDM4EHSD17B10ADORA2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
EP-1973881-B1 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-28 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 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 (3 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-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALOX5AP 1857/4885FEN1 4273/4885ADORA3 378/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALOX5AP 1857/4885FEN1 4273/4885ADORA3 378/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALOX5AP 1857/4885FEN1 4273/4885ADORA3 378/4885

“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.