SCHEMBL13530303

SCHEMBL13530303

CC(=O)Nc1nc(O/N=C(\C)c2ccccc2)ncc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
AURKA O14965 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
JAK2 O60674 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL16303089 0.85 EGFR (0.36) EGFRHPGDMAPTLMNAAURKA
SCHEMBL3174547 0.79 LMNA (0.40) HPGDMAPTLMNAMAPK1HTT
SCHEMBL3174553 0.79 LMNA (0.40) HPGDMAPTLMNAMAPK1HTT
SCHEMBL3168148 0.77 ALDH1A1 (0.41) EGFRMAPTLMNAMEN1KMT2A
SCHEMBL13530384 0.77 BRD4 (0.49) MEN1KMT2AADORA3ALDH1A1NPC1
SCHEMBL14730405 0.74 LMNA (0.34) HPGDLMNAMAPK1HTTL3MBTL1
SCHEMBL13529606 0.74 BRAF (0.44) EGFRMAPTLMNAAURKAGSK3A
SCHEMBL13750582 0.72 MAPK8 (0.42) MAPTLMNAMEN1KMT2A
SCHEMBL16303087 0.72 ALDH1A1 (0.37) HPGDMAPTLMNAMEN1KMT2A
SCHEMBL15661735 0.71 LMNA (0.55) HPGDMAPTLMNAMEN1KMT2A

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-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 EGFR 4225/4885HPGD 3992/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 EGFR 4225/4885HPGD 3992/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 EGFR 4225/4885HPGD 3992/4885MAPT 3308/4885

“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.