SCHEMBL13530249

SCHEMBL13530249

CCOP(=O)(Nc1nc(OC(C)c2ccc(F)cc2)ncc1F)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
JAK2 O60674 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
JAK3 P52333 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
CXCL12 P48061 1/20 0.31

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
SCHEMBL13765161 0.93 ALDH1A1 (0.36) KDM4EALDH1A1LMNACA12CA1
SCHEMBL3189376 0.83 ALDH1A1 (0.39) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL17011483 0.81 JAK2 (0.34) KRASSOS1JAK2JAK3SYK
SCHEMBL13529944 0.80 KRAS (0.37) ALDH1A1KRASSOS1JAK2JAK3
SCHEMBL13530378 0.79 KRAS (0.34) KRASSOS1JAK2ROCK2ROCK1
SCHEMBL13530451 0.79 MAPK1 (0.39) JAK2ROCK2ROCK1JAK3MAPK1
SCHEMBL13529419 0.78 PPARA (0.34) KRASSOS1JAK2JAK3SYK
SCHEMBL13530416 0.77 RORC (0.42) LMNAJAK2ROCK2ROCK1JAK3
SCHEMBL13529480 0.76 NPSR1 (0.43) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL13765102 0.76 ALDH1A1 (0.39) KDM4EALDH1A1LMNAKMT2AMEN1

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 KDM4E 1768/4885ALDH1A1 1302/4885LMNA 4636/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885LMNA 4636/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885ALDH1A1 1302/4885LMNA 4636/4885

“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.