SCHEMBL13530473

SCHEMBL13530473

Cc1ccc(COc2ncc(F)c(NNc3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
AR P10275 1/20 0.40
CYP1A2 P05177 7/20 0.40
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 3/20 0.40
USP2 O75604 1/20 0.40
AURKA O14965 4/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL13529734 0.92 CLK4 (0.42) ARCYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL14921857 0.90 AURKA (0.51) MAOBAURKACLK4PLK4PDPK1
SCHEMBL13530763 0.88 AURKA (0.40) MAOBARCYP1A2ALDH1A1CYP3A4
SCHEMBL13530771 0.86 CYP1A2 (0.41) MAOBCYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL13530766 0.84 AR (0.44) ARCYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL13529561 0.83 CYP1A2 (0.41) MAOBARCYP1A2ALDH1A1TSHR
SCHEMBL13529738 0.83 RXRA (0.46) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13530768 0.82 CYP1A2 (0.39) MAOBCYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL13530718 0.82 AURKA (0.44) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13530713 0.82 CYP1A2 (0.39) MAOBARCYP1A2ALDH1A1TSHR

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-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
EP-2562175-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP 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 MAOB 1396/4885AR 3095/4885CYP1A2 430/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885AR 3095/4885CYP1A2 430/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885AR 3095/4885CYP1A2 430/4885

“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.