SCHEMBL13530496

SCHEMBL13530496

O=C(Cc1ccccc1)Nc1nc(OCc2ccccc2)ncc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.47
CCNE1 P24864 4/20 0.45
CDK2 P24941 4/20 0.45
CDK5 Q00535 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TMIGD3 P0DMS9 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PIN1 Q13526 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13529975 0.95 ALDH1A1 (0.47) DEGS1CDK2MEN1KMT2ATSHR
SCHEMBL13530145 0.93 MEN1 (0.46) DEGS1MEN1KMT2ATSHRALDH1A1
SCHEMBL13529862 0.91 CNR2 (0.46) DEGS1HDAC3HDAC1HDAC2NCOR2
SCHEMBL13530480 0.87 USP2 (0.53) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL13530078 0.87 MEN1 (0.43) DEGS1CCNE1CDK2CDK5MEN1
SCHEMBL13530384 0.86 BRD4 (0.49) CCNE1CDK2MEN1KMT2ATSHR
SCHEMBL13529420 0.86 MEN1 (0.49) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL13529743 0.85 ROCK2 (0.49) MAPK1PIN1NPC1RAB9A
SCHEMBL13530033 0.85 RAB9A (0.51) MEN1KMT2AHDAC1HDAC2NPC1
SCHEMBL13529750 0.82 PPIA (0.52) MEN1KMT2ANPC1RAB9A

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 12 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
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
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
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 DEGS1 3515/4885CCNE1 1728/4885CDK2 458/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DEGS1 3515/4885CCNE1 1728/4885CDK2 458/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DEGS1 3515/4885CCNE1 1728/4885CDK2 458/4885

“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.