SCHEMBL13530355

SCHEMBL13530355

CN(C)/C=N/c1nc(OC(=O)Oc2ccc(F)cc2)ncc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 7/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 2/20 0.31
FAAH O00519 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
SCHEMBL13530188 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2CYP11B1
SCHEMBL13530301 0.92 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL13529898 0.91 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2CYP11B1
SCHEMBL13730246 0.91 CYP1A2 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2CYP11B1
SCHEMBL13530289 0.87 KMT2A (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL13530175 0.84 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL17004446 0.82 CYP1A2 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL17004447 0.82 CYP1A2 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL13530025 0.81 ATM (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3173756 0.81 KDM4E (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A

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 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885KDM4E 1768/4885HPGD 3992/4885

“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.