SCHEMBL13530679

SCHEMBL13530679

O=C(NCc1ccccc1F)Nc1nc(O)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 2/20 0.46
PPIA P62937 1/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
VNN1 O95497 1/20 0.42
MAOB P27338 1/20 0.42
RIPK1 Q13546 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42

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
SCHEMBL13530879 0.86 ROCK2 (0.53) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL13530677 0.86 POLB (0.48) ROCK2ROCK1MAPK1RAB9AMAOB
SCHEMBL1224382 0.81 KDM4E (0.50) ROCK1KMT2AMEN1PKMHPGD
SCHEMBL13529914 0.80 KMT2A (0.43) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL13530698 0.79 EPHX2 (0.57) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL14724901 0.79 KMT2A (0.44) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL13530116 0.79 MAPK1 (0.44) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL13529782 0.77 KMT2A (0.53) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL13529972 0.77 KMT2A (0.43) ROCK2ROCK1KMT2AMEN1MAPK1
SCHEMBL1270948 0.77 SMN1; SMN2 (0.50) ROCK2ROCK1KMT2AMEN1RAB9A

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 ROCK2 3139/4885ROCK1 4041/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ROCK2 3139/4885ROCK1 4041/4885KMT2A 3037/4885

“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.