SCHEMBL3327804

SCHEMBL3327804

COC(=O)c1nc(-c2ccc(F)c(C)c2F)cc(NC(C)=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 2/20 0.35
ABL1 P00519 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR4 O95977 1/20 0.34
TGFBR1 P36897 2/20 0.34
WDR5 P61964 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 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
SCHEMBL3329878 0.92 ALDH1A1 (0.40) ALDH1A1PIK3CAMTORADORA3ADORA2A
SCHEMBL3332440 0.91 ALDH1A1 (0.43) ALDH1A1ADORA3ADORA2AABL1MEN1
SCHEMBL3325039 0.89 ADORA2A (0.39) ALDH1A1ADORA3ADORA2AABL1ADORA1
SCHEMBL16075377 0.88 ALDH1A1 (0.39) ALDH1A1ADORA3ADORA2AKMT2ASMN1; SMN2
SCHEMBL16128885 0.87 ALDH1A1 (0.38) ALDH1A1ADORA3ADORA2AABL1MEN1
SCHEMBL2466539 0.87 KDM4E (0.41) ALDH1A1ADORA3ADORA2AABL1KMT2A
SCHEMBL3329058 0.86 ADORA2A (0.39) ALDH1A1ADORA3ADORA2AABL1KDM4E
SCHEMBL16047560 0.85 ALDH1A1 (0.37) ALDH1A1PIK3CAMTORADORA3ADORA2A
SCHEMBL2467053 0.85 PIK3CA (0.36) ALDH1A1PIK3CAMTORADORA3ADORA2A
SCHEMBL16036824 0.85 ALDH1A1 (0.38) ALDH1A1PIK3CAMTORADORA3ADORA2A

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 14 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 claimed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US 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 (5 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 ALDH1A1 1065/4885PIK3CA 1653/4885MTOR 3135/4885
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885PIK3CA 3951/4885MTOR 4737/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885PIK3CA 1653/4885MTOR 3135/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC ALDH1A1 1065/4885PIK3CA 1653/4885MTOR 3135/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885PIK3CA 3951/4885MTOR 4737/4885

“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.