SCHEMBL13530342

SCHEMBL13530342

Nc1nc(OCc2ccc(Cl)nc2)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MGMT P16455 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL13530230 0.86 RXRA (0.44) RXRAGRIN1GRIN2BALDH1A1MGMT
SCHEMBL13530393 0.85 DHFR (0.43) RXRAGRIN1GRIN2BALDH1A1DCK
SCHEMBL13530387 0.82 RXRA (0.43) RXRAGRIN1GRIN2BDCK
SCHEMBL318524 0.82 MAOB (0.47) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL29366119 0.82 MAOB (0.47) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13530258 0.82 NPC1 (0.50) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13530231 0.82 RXRA (0.45) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13529747 0.81 RXRA (0.41) RXRAGRIN1GRIN2BALDH1A1MGMT
SCHEMBL13529808 0.81 LOX (0.44) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL13727399 0.81 CSF1R (0.40) RXRAGRIN1GRIN2BHDAC1HDAC6

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-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
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.