SCHEMBL13530333

SCHEMBL13530333

Nc1nc(OCc2ccc(CO)cc2)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
MGMT P16455 2/20 0.36
MAOB P27338 2/20 0.35
MPO P05164 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
FYN P06241 1/20 0.34
ATR Q13535 1/20 0.34
DCK P27707 1/20 0.34

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 0.92 RXRA (0.44) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL13529747 0.89 RXRA (0.41) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL318524 0.88 MAOB (0.47) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL29366119 0.88 MAOB (0.47) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL13529494 0.86 SYK (0.42) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL318183 0.85 MPO (0.43) RXRAGRIN1GRIN2BMGMTMPO
SCHEMBL19510197 0.85 RXRA (0.40) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL13530393 0.85 DHFR (0.43) RXRAGRIN1GRIN2BMAOBMPO
SCHEMBL13529576 0.85 RXRA (0.40) RXRAGRIN1GRIN2BMGMTMAOB
SCHEMBL29350507 0.85 MPO (0.43) RXRAGRIN1GRIN2BMGMTMPO

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
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.