SCHEMBL13530266

SCHEMBL13530266

CC(C)Nc1nc(OCc2ccccc2)ncc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CYP1A2 P05177 9/20 0.41
ALDH1A1 P00352 7/20 0.41
TSHR P16473 5/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PIN1 Q13526 1/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 2/20 0.40
CYP3A4 P08684 5/20 0.39
CYP2C9 P11712 4/20 0.39
USP2 O75604 1/20 0.39
CXCR2 P25025 1/20 0.39
CX3CR1 P49238 1/20 0.39
CYP2C19 P33261 5/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 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
SCHEMBL13530041 0.89 AURKA (0.39) GAACYP1A2ALDH1A1TSHRACACB
SCHEMBL13530365 0.89 ACACB (0.42) GAACYP1A2ALDH1A1TSHRCASP1
SCHEMBL13765159 0.86 FFAR1 (0.38) GAACYP1A2ALDH1A1TSHRCLK4
SCHEMBL13529389 0.85 CYP1A2 (0.47) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13530088 0.84 MAOB (0.45) CYP1A2ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13529625 0.82 LMNA (0.45) GAACYP1A2ALDH1A1TSHRCLK4
SCHEMBL13529665 0.82 PIN1 (0.43) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13529969 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13530730 0.81 AR (0.41) CYP1A2ALDH1A1TSHRCLK4PIN1
SCHEMBL13530358 0.80 CYP1A2 (0.41) 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 9 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-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 GAA 1638/4885CYP1A2 430/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 GAA 1638/4885CYP1A2 430/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 GAA 1638/4885CYP1A2 430/4885ALDH1A1 1302/4885

“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.