SCHEMBL13530561

SCHEMBL13530561

Fc1cnc(OCc2ccco2)nc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
PDE5A O76074 5/20 0.44
DYRK1A Q13627 5/20 0.43
CLK4 Q9HAZ1 5/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MAP2K4 P45985 1/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13530585 0.85 MAP2K4 (0.51) MEN1KMT2AALDH1A1MAPTPDE5A
SCHEMBL13530544 0.83 PDE5A (0.51) MEN1KMT2AALDH1A1MAPTPDE5A
SCHEMBL13530556 0.83 PDE5A (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530507 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530627 0.82 MAPT (0.43) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530672 0.82 KDM4E (0.43) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530644 0.81 PDE5A (0.43) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530666 0.81 PDE5A (0.47) MEN1KMT2AALDH1A1PDE5ADYRK1A
SCHEMBL13530614 0.80 MAOA (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13530576 0.80 KDM4E (0.41) MEN1KMT2AALDH1A1MAPTHTT

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
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-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 MEN1 3460/4885KMT2A 3037/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MEN1 3460/4885KMT2A 3037/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MEN1 3460/4885KMT2A 3037/4885ALDH1A1 1302/4885

“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.