SCHEMBL11029911

SCHEMBL11029911

CCc1nc(C(=O)OC)c(I)c(N)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
CGAS Q8N884 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
DHFR P00374 2/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 6/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
NQO2 P16083 1/20 0.32
SOS1 Q07889 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 2/20 0.31

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
SCHEMBL16127364 0.90 NPSR1 (0.39) NPSR1CGASL3MBTL1ALDH1A1HPGD
SCHEMBL14354084 0.82 NPSR1 (0.44) NPSR1L3MBTL1DHFRALDH1A1HPGD
SCHEMBL1424219 0.82 NPSR1 (0.44) NPSR1L3MBTL1DHFRALDH1A1HPGD
SCHEMBL11022894 0.80 NPSR1 (0.41) NPSR1CGASL3MBTL1ALDH1A1HPGD
SCHEMBL14479749 0.75 NPSR1 (0.37) NPSR1L3MBTL1ALDH1A1HPGDMEN1
SCHEMBL11028132 0.75 NPSR1 (0.38) NPSR1DHFR
SCHEMBL11028129 0.75 NPSR1 (0.38) NPSR1DHFR
SCHEMBL16776812 0.73 NPSR1 (0.40) NPSR1L3MBTL1ALDH1A1CYP1A2MAPT
SCHEMBL11030757 0.72 KDM4E (0.51) L3MBTL1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL16776858 0.72 NPSR1 (0.39) NPSR1L3MBTL1ALDH1A1CYP1A2MAPT

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-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
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 NPSR1 1796/4885CGAS 4234/4885L3MBTL1 1484/4885

“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.