SCHEMBL3456580

SCHEMBL3456580

O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(F)cc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GNRHR P30968 3/20 0.43
TMEM97 Q5BJF2 2/20 0.43
CYP2C8 P10632 1/20 0.43
CNR1 P21554 1/20 0.43
MAPK3 P27361 1/20 0.43

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 0.89 KMT2A (0.52) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL3457592 0.85 TLR7 (0.54) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL29356683 0.84 KMT2A (0.61) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL21950 0.84 KMT2A (0.61) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL15286566 0.84 KMT2A (0.61) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL3457425 0.83 CYP1A2 (0.49) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL6031065 0.81 KMT2A (0.51) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL20476585 0.81 MEN1 (0.48) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL29430306 0.81 MEN1 (0.48) MEN1KMT2AGLAMAPTCYP1A2
SCHEMBL3456653 0.79 KMT2A (0.53) MEN1KMT2AGLAMAPTCYP1A2

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 23 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
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-7321043-B2 Processes for the preparation of 2-aminomethylpyridines and the 2-cyanopyridines used in their preparation BAYER CROPSCIENCE S.A. (FR) 2008-01-22 US 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 MEN1 1145/4885KMT2A 2269/4885GLA 220/4885
US-20050250947-A1 Processes for the preparation of 2-aminomethylpyridines and the 2-cyanopyridines used in their preparation QDPR, AASDHPPT, DPYD MEN1 1497/4885KMT2A 983/4885GLA 1665/4885

“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.