SCHEMBL13530289

SCHEMBL13530289

CN(C)/C=N/c1nc(OC(=O)Oc2ccc3ccccc3c2)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN7 P35236 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL13530355 0.87 ALDH1A1 (0.35) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13530188 0.86 ALDH1A1 (0.43) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13530301 0.86 ALDH1A1 (0.34) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13529898 0.85 KDM4E (0.40) KMT2AALDH1A1MEN1RAB9AHPGD
SCHEMBL13530025 0.84 ATM (0.38) KMT2AALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL13530175 0.81 ALDH1A1 (0.33) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13529288 0.79 ALDH1A1 (0.43) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13529467 0.79 HSD17B10 (0.38) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL13529386 0.78 ALDH1A1 (0.38) KMT2AALDH1A1MEN1RAB9ACYP1A2
SCHEMBL17004447 0.78 CYP1A2 (0.36) KMT2AALDH1A1MEN1RAB9ACYP1A2

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 KMT2A 3037/4885ALDH1A1 1302/4885MEN1 3460/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885ALDH1A1 1302/4885MEN1 3460/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885ALDH1A1 1302/4885MEN1 3460/4885

“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.