SCHEMBL13530587

SCHEMBL13530587

CCOCCOc1cccc(COc2ncc(F)c(NC(C)=O)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PIK3CA P42336 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SYK P43405 2/20 0.38
MAOB P27338 2/20 0.38
PPARD Q03181 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
EPHX2 P34913 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL13529935 0.87 KDM4E (0.43) FFAR1MEN1KMT2ATAAR1KDM4E
SCHEMBL13530237 0.86 PIK3CA (0.52) PIK3CAALDH1A1SYKMAOBMRGPRX4
SCHEMBL13530520 0.84 FFAR1 (0.44) FFAR1MEN1KMT2APIK3CA
SCHEMBL13529453 0.82 PIK3CA (0.52) PIK3CAKDM4EMAOBMRGPRX4ACACB
SCHEMBL13530456 0.81 KDM4E (0.44) FFAR1KDM4ESMN1; SMN2
SCHEMBL13530384 0.80 BRD4 (0.49) MEN1KMT2ATAAR1PIK3CASMN1; SMN2
SCHEMBL13729054 0.78 NPC1 (0.53) FFAR1PIK3CAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17012503 0.78 KDM4E (0.35) FFAR1MEN1KMT2ATAAR1KDM4E
SCHEMBL13530357 0.77 MAPT (0.39) FFAR1MEN1KMT2ATAAR1KDM4E
SCHEMBL13530478 0.76 MAOB (0.43) PIK3CASMN1; SMN2ALDH1A1SYKMAOB

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-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
EP-2562166-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP 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 FFAR1 2513/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 FFAR1 2513/4885MEN1 3460/4885KMT2A 3037/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 FFAR1 2513/4885MEN1 3460/4885KMT2A 3037/4885

“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.