SCHEMBL13530488

SCHEMBL13530488

CNc1nc(OCc2ccc(F)cc2)ncc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL13529738 0.90 RXRA (0.46) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529389 0.88 CYP1A2 (0.47) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529871 0.87 AURKA (0.46) RXRAGRIN1GRIN2BAURKAMAOB
SCHEMBL13530225 0.86 ALDH1A1 (0.40) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529628 0.86 ALDH1A1 (0.40) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13529498 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530110 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13530365 0.85 ACACB (0.42) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL13730474 0.83 ALDH1A1 (0.39) RXRAGRIN1GRIN2BALDH1A1CYP1A2
SCHEMBL3176231 0.83 ACACB (0.39) RXRAGRIN1GRIN2BALDH1A1CYP1A2

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 12 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-2562162-B1 N-CYANO-4-AMINO-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-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 RXRA 2187/4885GRIN1 3052/4885GRIN2B 1784/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 RXRA 2187/4885GRIN1 3052/4885GRIN2B 1784/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 RXRA 2187/4885GRIN1 3052/4885GRIN2B 1784/4885

“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.