SCHEMBL13530231

SCHEMBL13530231

Nc1nc(OCc2ccc(F)c(Cl)c2)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2B Q13224 4/20 0.45
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.39
SOS1 Q07889 1/20 0.38
SLC6A4 P31645 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
MAPK1 P28482 1/20 0.37
TEC P42680 1/20 0.36
DCK P27707 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 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
SCHEMBL13530258 0.92 NPC1 (0.50) RXRAGRIN1GRIN2BNPC1MAPT
SCHEMBL13529654 0.87 RXRA (0.45) RXRAGRIN1GRIN2BMAOBDCK
SCHEMBL13530393 0.87 DHFR (0.43) RXRAGRIN1GRIN2BMAOBTEC
SCHEMBL17011584 0.85 RXRA (0.45) RXRAGRIN1GRIN2BNPC1MAPT
SCHEMBL13530230 0.85 RXRA (0.44) RXRAGRIN1GRIN2BMAOBMAPK1
SCHEMBL13530100 0.85 DHFR (0.49) MAOBDCK
SCHEMBL5022329 0.84 RXRA (0.44) RXRAGRIN1GRIN2BNPC1MAPT
SCHEMBL13529986 0.84 RXRA (0.43) RXRAGRIN1GRIN2BDCK
SCHEMBL13765101 0.83 RXRA (0.43) RXRAGRIN1GRIN2BMAOBDCK
SCHEMBL13529906 0.83 RXRA (0.46) RXRAGRIN1GRIN2B

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-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

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.