SCHEMBL13530677

SCHEMBL13530677

O=C(NCc1ccccc1)Nc1nc(O)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
MAOB P27338 1/20 0.48
RAB9A P51151 1/20 0.48
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 2/20 0.47
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 3/20 0.46
ADORA3 P0DMS8 2/20 0.45
IMPDH2 P12268 1/20 0.45
CFD P00746 1/20 0.45
HTT P42858 1/20 0.45
CDK2 P24941 1/20 0.44
GSK3A P49840 1/20 0.44
DYRK1A Q13627 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL13530679 0.86 ROCK2 (0.48) MAOBRAB9AROCK2ROCK1MAPK1
SCHEMBL1270948 0.81 SMN1; SMN2 (0.50) NPC1MAOBRAB9AROCK2ROCK1
SCHEMBL13530698 0.80 EPHX2 (0.57) POLBRAB9AROCK2ROCK1KDM4E
SCHEMBL13530879 0.80 ROCK2 (0.53) POLBRAB9AROCK2ROCK1MAPK1
SCHEMBL13529387 0.79 RAB9A (0.52) POLBNPC1MAOBRAB9AROCK2
SCHEMBL13530696 0.77 AURKA (0.45) NPC1RAB9AMAPK1ATG4B
SCHEMBL13383578 0.76 AURKA (0.55) NPC1RAB9AADORA3HTTCDK2
SCHEMBL13529616 0.76 SMN1; SMN2 (0.48) MAPK1
SCHEMBL14724361 0.76 ROCK2 (0.48) POLBNPC1MAOBRAB9AROCK2
SCHEMBL13529914 0.74 KMT2A (0.43) RAB9AROCK2ROCK1KDM4EMAPK1

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 POLB 846/4885NPC1 2157/4885MAOB 1396/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 POLB 846/4885NPC1 2157/4885MAOB 1396/4885

“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.