SCHEMBL13530349

SCHEMBL13530349

CCOP(=O)(Nc1nc(OCc2cccc(C#N)c2)ncc1F)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
SYK P43405 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 1/20 0.39
SGMS2 Q8NHU3 2/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GLA P06280 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL13530322 0.87 MAOB (0.40) FFAR1ALDH1A1SGMS2MAOBMAOA
SCHEMBL13529480 0.84 NPSR1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL13530172 0.82 SYK (0.41) FFAR1SYKALDH1A1CYP1A2CYP3A4
SCHEMBL13530290 0.82 SYK (0.42) FFAR1SYKALDH1A1CYP1A2CYP3A4
SCHEMBL13529818 0.82 FFAR1 (0.44) FFAR1SYKSGMS2ADAMTS4MMP13
SCHEMBL17012047 0.81 SYK (0.44) FFAR1SYKALDH1A1CYP1A2CYP3A4
SCHEMBL13765017 0.80 MAOB (0.42) FFAR1SGMS2MRGPRX4MAOBMAOA
SCHEMBL3189376 0.80 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL13529532 0.79 SYK (0.44) FFAR1SYKSCN9ASGMS2ADAMTS4
SCHEMBL13530438 0.79 KDM4E (0.46) FFAR1SYKALDH1A1CYP1A2CYP3A4

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 10 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-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

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 FFAR1 2513/4885SYK 2211/4885ALDH1A1 1302/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 FFAR1 2513/4885SYK 2211/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 FFAR1 2513/4885SYK 2211/4885ALDH1A1 1302/4885

“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.