SCHEMBL13529972

SCHEMBL13529972

Cc1ccc(COc2ncc(F)c(NC(=O)NCc3ccccc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 3/20 0.41
MEN1 O00255 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ACACB O00763 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13530116 0.92 MAPK1 (0.44) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13529914 0.92 KMT2A (0.43) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13530374 0.88 KMT2A (0.43) KMT2APKMMEN1SMN1; SMN2ALDH1A1
SCHEMBL14724901 0.88 KMT2A (0.44) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13530094 0.86 KMT2A (0.53) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13529438 0.85 ROCK2 (0.46) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13529653 0.85 L3MBTL1 (0.49) KMT2ARAB9APKMMEN1SMN1; SMN2
SCHEMBL1448423 0.84 LMNA (0.46) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL13529782 0.84 KMT2A (0.53) KMT2AMAPK1RAB9APKMNAMPT
SCHEMBL13529692 0.84 RAB9A (0.58) KMT2AMAPK1RAB9APKMNAMPT

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-2562166-B1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP 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-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 KMT2A 3037/4885MAPK1 3943/4885RAB9A 1663/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885MAPK1 3943/4885RAB9A 1663/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KMT2A 3037/4885MAPK1 3943/4885RAB9A 1663/4885

“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.