SCHEMBL13530290

SCHEMBL13530290

CC[Si](CC)(CC)Nc1nc(OCc2cccc(C#N)c2)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR1 O14842 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
MAOB P27338 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALKBH1 Q13686 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL13529883 0.85 ACACB (0.42) ADAMTS4MMP13FFAR1MRGPRX4MAOB
SCHEMBL13529532 0.85 SYK (0.44) SYKADAMTS4MMP13FFAR1MRGPRX4
SCHEMBL13530172 0.83 SYK (0.41) SYKADAMTS4MMP13FFAR1MRGPRX4
SCHEMBL13529818 0.83 FFAR1 (0.44) SYKADAMTS4MMP13FFAR1MRGPRX4
SCHEMBL13530358 0.83 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL17012047 0.83 SYK (0.44) SYKADAMTS4MMP13FFAR1MRGPRX4
SCHEMBL13530291 0.83 MAOB (0.44) SYKMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL13530232 0.82 ADAMTS4 (0.44) SYKADAMTS4MMP13FFAR1FFAR4
SCHEMBL13530349 0.82 FFAR1 (0.41) SYKADAMTS4MMP13FFAR1MRGPRX4
SCHEMBL3182242 0.81 SYK (0.38) SYKADAMTS4MMP13FFAR1MRGPRX4

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 8 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
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

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 SYK 2211/4885ADAMTS4 3286/4885MMP13 4792/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SYK 2211/4885ADAMTS4 3286/4885MMP13 4792/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SYK 2211/4885ADAMTS4 3286/4885MMP13 4792/4885

“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.