SCHEMBL13530267

SCHEMBL13530267

COc1cc(COc2ncc(F)c(N)n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2B Q13224 3/20 0.46
ALKBH1 Q13686 1/20 0.43
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
CSF1R P07333 2/20 0.40
DCK P27707 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 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
SCHEMBL13530437 0.92 HTT (0.49) RXRAGRIN1GRIN2BDHFRHTT
SCHEMBL13530274 0.90 LMNA (0.48) RXRAGRIN1GRIN2BALKBH1DHFR
SCHEMBL13529958 0.87 RXRA (0.40) RXRAGRIN1GRIN2BDHFRHTT
SCHEMBL13529654 0.85 RXRA (0.45) RXRAGRIN1GRIN2BDCK
SCHEMBL13530348 0.85 DHFR (0.40) DHFRHTTCSF1RNTRK1NTRK3
SCHEMBL13530115 0.84 PTGDR2 (0.40) RXRAGRIN1GRIN2BDHFRHTT
SCHEMBL13529906 0.84 RXRA (0.46) RXRAGRIN1GRIN2B
SCHEMBL13764991 0.83 RXRA (0.43) RXRAGRIN1GRIN2BDHFRHTT
SCHEMBL13530230 0.83 RXRA (0.44) RXRAGRIN1GRIN2BDCK
SCHEMBL13530436 0.82 NPC1 (0.49) CSF1RDCKNTRK1NTRK3NTRK2

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 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.