SCHEMBL1396996

SCHEMBL1396996

COc1c(O)nc(-c2ccc(Cl)c(OC)c2F)nc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEP1B Q16820 1/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NPC1 O15118 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TSHR P16473 2/20 0.32
TPMT P51580 1/20 0.32
PDCD1LG2 Q9BQ51 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
SCHEMBL16712267 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL1115268 0.85 TAS1R3 (0.39) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL12809097 0.83 MEP1B (0.37) ALDH1A1KDM4EHSD17B10MEP1BHTR1A
SCHEMBL1396995 0.83 DHPS (0.41) ALDH1A1KDM4EHSD17B10MEP1BHTR1A
SCHEMBL16712286 0.83 MEP1B (0.37) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL119198 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL18244619 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10MEP1BHTR1A
SCHEMBL16712293 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL1114950 0.81 TAS1R3 (0.38) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL16712268 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609592-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-12-17 US disclosed
US-8426591-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-04-23 US disclosed
US-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-04-18 US disclosed
EP-2181098-B1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2011-03-02 EP disclosed
US-20100121058-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
EP-2181098-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-05-05 EP disclosed
US-7642220-B2 2-(substituted phenyl)-6-amino-5-alkoxy, thioalkoxy and aminoalkyl-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2010-01-05 US disclosed
WO-2009029735-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 WO disclosed
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC 2009-03-05 US 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-20130096005-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC ALDH1A1 504/4885KDM4E 381/4885HSD17B10 3509/4885
US-20100121058-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC ALDH1A1 504/4885KDM4E 381/4885HSD17B10 3509/4885
US-20090062125-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, AADAC ALDH1A1 504/4885KDM4E 381/4885HSD17B10 3509/4885

“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.