SCHEMBL13530370

SCHEMBL13530370

CN(C)c1nc(OCc2ccccc2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.44
ALDH1A1 P00352 11/20 0.44
TSHR P16473 7/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PIN1 Q13526 1/20 0.43
HSD17B10 Q99714 5/20 0.42
CASP1 P29466 4/20 0.42
CASP7 P55210 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 8/20 0.41
CYP2C9 P11712 7/20 0.41
USP2 O75604 2/20 0.41
CYP2C19 P33261 7/20 0.41
MAPK1 P28482 3/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 3/20 0.40
HIF1A Q16665 1/20 0.39
RXRA P19793 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
SCHEMBL13529982 0.89 CYP1A2 (0.42) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13530312 0.88 ALDH1A1 (0.41) CYP1A2ALDH1A1TSHRHSD17B10CASP1
SCHEMBL13529870 0.87 RXRA (0.40) CYP1A2ALDH1A1TSHRPIN1CYP3A4
SCHEMBL13530338 0.86 CYP1A2 (0.42) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13529886 0.83 MAOB (0.48) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL3173625 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13530123 0.82 PIN1 (0.40) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL17012535 0.80 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL2554170 0.80 LIPE (0.48) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL11604390 0.78 PIN1 (0.47) CYP1A2ALDH1A1TSHRCLK4PIN1

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 10 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
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 CYP1A2 430/4885ALDH1A1 1302/4885TSHR 3010/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885ALDH1A1 1302/4885TSHR 3010/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CYP1A2 430/4885ALDH1A1 1302/4885TSHR 3010/4885

“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.