SCHEMBL13530698

SCHEMBL13530698

O=C(NCc1ccco1)Nc1nc(O)ncc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
RAB9A P51151 3/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL13530677 0.80 POLB (0.48) RAB9AMAPK1HTTPOLBROCK2
SCHEMBL13530679 0.79 ROCK2 (0.48) RAB9AHPGDMAPK1MEN1KMT2A
SCHEMBL13530879 0.74 ROCK2 (0.53) RAB9AHPGDALDH1A1MAPTGAA
SCHEMBL13530696 0.73 AURKA (0.45) EPHX2RAB9AALDH1A1MAPTMAPK1
SCHEMBL24575916 0.72 EPHX2 (0.83) EPHX2RAB9AHPGDALDH1A1MAPT
SCHEMBL28554991 0.69 RAB9A (0.76) EPHX2RAB9AHPGDALDH1A1MAPT
SCHEMBL29432948 0.69 RAB9A (0.61) EPHX2RAB9AHPGDALDH1A1MAPT
SCHEMBL29433002 0.69 RAB9A (0.61) EPHX2RAB9AHPGDALDH1A1MAPT
SCHEMBL655021 0.69 MAPT (0.52) RAB9AALDH1A1MAPTTSHRMAPK1
SCHEMBL13530693 0.68 MMP3 (0.44) RAB9AHPGDALDH1A1MAPTGAA

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 EPHX2 1239/4885RAB9A 1663/4885HPGD 3992/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 EPHX2 1239/4885RAB9A 1663/4885HPGD 3992/4885

“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.