SCHEMBL13530502

SCHEMBL13530502

COc1ccc(CNc2nc(OCc3ccccc3)ncc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47
MEN1 O00255 1/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 4/20 0.46
POLB P06746 1/20 0.46
NR2F2 P24468 1/20 0.46
SLC2A1 P11166 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
VNN1 O95497 1/20 0.45
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL13530467 0.92 MAP2K4 (0.47) MEN1KMT2AEGFRPOLBNR2F2
SCHEMBL13529604 0.91 CLK1 (0.46) ALDH1A1EGFRPOLBNR2F2VNN1
SCHEMBL13529752 0.90 EGFR (0.46) ALDH1A1MEN1BCHEKMT2AEGFR
SCHEMBL13530645 0.90 CLK4 (0.48) EGFRPOLBCLK4VNN1JAK3
SCHEMBL13529678 0.89 MEN1 (0.44) ALDH1A1APPMEN1KMT2AEGFR
SCHEMBL14724384 0.84 AURKA (0.44) ALDH1A1APPEGFRPOLBVNN1
SCHEMBL13529771 0.84 L3MBTL1 (0.45) KDM4EALDH1A1MEN1BCHEKMT2A
SCHEMBL13530610 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MEN1BCHEKMT2A
SCHEMBL13530310 0.83 PDE4A (0.48) APPMEN1KMT2AEGFRPOLB
SCHEMBL13530419 0.83 KDM4E (0.42) KDM4EALDH1A1APPMEN1KMT2A

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-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885APP 4696/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885APP 4696/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885APP 4696/4885

“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.