SCHEMBL13530485

SCHEMBL13530485

N#Cc1cccc(COc2ncc(F)c(NC(=S)Nc3ccccc3F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SYK P43405 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPIF P30405 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL13529512 0.89 PPIF (0.50) SGMS2ALDH1A1MAPTKDM4ESYK
SCHEMBL13529721 0.87 PPIF (0.46) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13530156 0.86 MEN1 (0.40) SGMS2ALDH1A1MAPTKDM4ESYK
SCHEMBL13530216 0.86 CYP1A2 (0.47) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL3182242 0.84 SYK (0.38) SGMS2ALDH1A1SYKCYP1A2CYP3A4
SCHEMBL13530335 0.84 RAB9A (0.53) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13529496 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13530483 0.80 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13530476 0.80 HPGD (0.49) ALDH1A1MAPTKDM4EHSD17B10NPC1
SCHEMBL13530239 0.80 PPIA (0.56) SGMS2ALDH1A1MAPTSYKNPC1

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 13 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
EP-2562166-B1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP 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
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SGMS2 3439/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SGMS2 3439/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SGMS2 3439/4885ALDH1A1 1302/4885MAPT 3308/4885

“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.