SCHEMBL11028735

SCHEMBL11028735

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1/C=C/[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
CTSA P10619 3/20 0.36
SCN9A Q15858 7/20 0.35
TDO2 P48775 1/20 0.35
KCNA3 P22001 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ACLY P53396 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL11028739 1.00 KDM4E (0.40) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL11030317 0.90 KMO (0.40) ABL1CTSATRPV1
SCHEMBL11030321 0.90 KMO (0.40) ABL1CTSATRPV1
SCHEMBL11030238 0.88 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL11030232 0.88 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL29556312 0.86 KDM4E (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL16036061 0.86 KDM4E (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL29557179 0.82 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL16037442 0.82 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL11027603 0.81 KDM4E (0.45) KDM4EPKMRCE1ALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
EP-2667717-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES Dow AgroSciences LLC (US) 2013-12-04 EP disclosed
WO-2012103051-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-08-02 WO disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 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 (1 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-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DDT, PFAS, WEE2 KDM4E 130/4885PKM 833/4885RCE1 2754/4885

“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.