SCHEMBL13530257

SCHEMBL13530257

COc1ccccc1COc1ncc(F)c(NCO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 4/20 0.39
PTGDR Q13258 1/20 0.39
ABCB1 P08183 1/20 0.39
IDO1 P14902 2/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38

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
SCHEMBL13530567 0.87 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EMEN1LMNA
SCHEMBL13529861 0.85 TLR7 (0.41) AURKAPARP14PARP10L3MBTL1TLR8
SCHEMBL13530495 0.85 AURKA (0.41) AURKAPARP14PARP10L3MBTL1TLR8
SCHEMBL13529811 0.84 PARP14 (0.45) AURKAPARP14PARP10MEN1KMT2A
SCHEMBL13529889 0.83 ABCB1 (0.43) AURKAPARP14PARP10L3MBTL1TLR8
SCHEMBL13530572 0.82 CYP1A2 (0.52) L3MBTL1ALDH1A1KDM4EMEN1LMNA
SCHEMBL13530522 0.81 RXRA (0.46) AURKAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL13530380 0.81 AURKA (0.48) AURKAPARP14PARP10ALDH1A1KDM4E
SCHEMBL3175535 0.81 CCR4 (0.46) ALDH1A1KDM4ELMNAGAAHSD17B10
SCHEMBL13529527 0.80 PARP14 (0.44) AURKAPARP14PARP10ALDH1A1KDM4E

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 AURKA 1050/4885PARP14 1748/4885PARP10 2725/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885PARP14 1748/4885PARP10 2725/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885PARP14 1748/4885PARP10 2725/4885

“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.