SCHEMBL13529935

SCHEMBL13529935

CCOCCOc1cccc(COc2ncc(F)c(NC)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 7/20 0.42
GRIN1 Q05586 7/20 0.42
GRIN2B Q13224 7/20 0.42
SYK P43405 4/20 0.41
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DHFR P00374 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 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
SCHEMBL13530587 0.87 FFAR1 (0.42) KDM4ESMN1; SMN2SYKFFAR1MEN1
SCHEMBL13530456 0.85 KDM4E (0.44) KDM4ESMN1; SMN2FFAR1DHFR
SCHEMBL13529415 0.84 CYP1A2 (0.48) SMN1; SMN2RXRAGRIN1GRIN2BSYK
SCHEMBL17012503 0.80 KDM4E (0.35) KDM4ESMN1; SMN2SYKFFAR1MEN1
SCHEMBL13530357 0.79 MAPT (0.39) KDM4ESMN1; SMN2SYKFFAR1MEN1
SCHEMBL13530293 0.79 MAOB (0.43) KDM4ESMN1; SMN2SYKCYP1A2CYP3A4
SCHEMBL13529389 0.78 CYP1A2 (0.47) SMN1; SMN2RXRAGRIN1GRIN2BMEN1
SCHEMBL13530187 0.76 MAOB (0.46) SMN1; SMN2SYKCYP1A2CYP3A4CYP2D6
SCHEMBL13530146 0.75 NTRK1 (0.44) KDM4ESMN1; SMN2RXRAGRIN1GRIN2B
SCHEMBL13529560 0.74 CYP1A2 (0.47) SMN1; SMN2SYKCYP1A2CYP3A4CYP2D6

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 11 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
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 KDM4E 1768/4885SMN1; SMN2 2803/4885RXRA 2187/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885SMN1; SMN2 2803/4885RXRA 2187/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885SMN1; SMN2 2803/4885RXRA 2187/4885

“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.