SCHEMBL3457592

SCHEMBL3457592

O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
P2RX7 Q99572 6/20 0.50
TLR8 Q9NR97 3/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3666907 0.95 KMT2A (0.52) TLR7MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29356683 0.93 KMT2A (0.61) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL15286566 0.93 KMT2A (0.61) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL21950 0.93 KMT2A (0.61) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL3456653 0.88 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2NPSR1
Thiophene SCHEMBL28276080 0.87 KMT2A (0.55) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL726389 0.87 MEN1 (0.51) TLR7MEN1KMT2AMAPTSMN1; SMN2
Benzophenone SCHEMBL28097412 0.86 KMT2A (0.56) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL3457186 0.85 KMT2A (0.49) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL3456580 0.85 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2NPSR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250947-A1 Processes for the preparation of 2-aminomethylpyridines and the 2-cyanopyridines used in their preparation BAYER CROPSCIENCE S.A. 2005-11-10 US claimed
US-6921828-B2 Processes for the preparation of 2-aminomethlpyridines and the 2-cyanopyridines used in their preparation BAYER CROPSCIENCE S.A. (FR) 2005-07-26 US claimed
US-20040049048-A1 Novel process BAYER CROPSCIENCE LIMITED (GB) 2004-03-11 US claimed
CN-1449383-A Process for preparing 2-aminoethylpyridines BAYER CROPSCIENCE SA (FR) 2003-10-15 CN claimed
EP-1311483-A2 PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINES Bayer CropScience S.A. (FR) 2003-05-21 EP claimed
EP-1199305-A1 Process for the preparation of 2-aminomethylpyridines AVENTIS CROPSCIENCE S.A. (FR) 2002-04-24 EP claimed
WO-2002016322-A2 PROCESS FOR THE PREPARATION OF 2-AMINOETHYLPYRIDINES BAYER CROPSCIENCE SA (FR) 2002-02-28 WO claimed
EP-2260704-B1 Fungicidal compositions comprising a benzamide and cymoxanil DU PONT (US) 2013-10-16 EP disclosed
EP-1484970-B1 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES DU PONT (US) 2013-06-26 EP disclosed
EP-2260705-A2 Fungicidal compositions comprising a benzamide and a michondrial respiration inhibitor E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260703-A2 Fungicidal compositions comprising a benzamide and fosetyl-aluminium E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2260704-A2 Fungicidal compositions comprising a benzamide and cymoxanil E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
EP-2258190-A2 Fungicidal compositions comprising a benzamide and a phthalimide E. I. du Pont de Nemours and Company (US) 2010-12-08 EP disclosed
US-6921828-B2 Processes for the preparation of 2-aminomethlpyridines and the 2-cyanopyridines used in their preparation BAYER CROPSCIENCE S.A. (FR) 2005-07-26 US disclosed
EP-1484970-A2 BENZAMIDES AND COMPOSITIONS COMPRISING BENZAMIDES FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP disclosed
US-20040049048-A1 Novel process BAYER CROPSCIENCE LIMITED (GB) 2004-03-11 US disclosed
WO-2003079788-A2 BENZAMIDES AND COMPOSITIONS BENZAMIDES FOR USE AS FUNGIZIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO disclosed
EP-1311483-A2 PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINES Bayer CropScience S.A. (FR) 2003-05-21 EP disclosed
EP-1199305-A1 Process for the preparation of 2-aminomethylpyridines AVENTIS CROPSCIENCE S.A. (FR) 2002-04-24 EP disclosed
WO-2002016322-A2 PROCESS FOR THE PREPARATION OF 2-AMINOETHYLPYRIDINES BAYER CROPSCIENCE SA (FR) 2002-02-28 WO 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-20040049048-A1 Novel process UGT1A4, SULT1A1, CYP4A11 TLR7 3433/4885MEN1 1145/4885KMT2A 2269/4885
US-20050250947-A1 Processes for the preparation of 2-aminomethylpyridines and the 2-cyanopyridines used in their preparation QDPR, AASDHPPT, DPYD TLR7 4191/4885MEN1 1497/4885KMT2A 983/4885

“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.