SCHEMBL1930002

SCHEMBL1930002

COC(=O)c1nn(C)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.38
LDHA P00338 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CFTR P13569 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL1412528 0.81 KDM4E (0.43) NPC1F2PLAUELANEKDM4E
SCHEMBL1930028 0.80 NPSR1 (0.56) NPC1NPSR1GAAF2PLAU
SCHEMBL936108 0.79 GLA (0.37) NPC1PKMNPSR1GAAELANE
SCHEMBL17997398 0.73 NPSR1 (0.48) NPSR1GAAF2PLAUELANE
SCHEMBL1930032 0.73 NPSR1 (0.48) NPC1NPSR1GAAF2PLAU
SCHEMBL28866449 0.72 TSHR (0.43) NPSR1ALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL1930473 0.72 NPSR1 (0.46) NPC1NPSR1GAAF2PLAU
SCHEMBL19207112 0.72 NPSR1 (0.46) NPC1NPSR1GAAF2PLAU
SCHEMBL1412413 0.71 NPSR1 (0.42) NPC1NPSR1GAAF2PLAU
SCHEMBL3605755 0.71 NPSR1 (0.42) NPC1NPSR1GAAF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258690-B1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2013-02-20 EP disclosed
EP-1539717-B1 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-07-13 EP disclosed
US-7956194-B2 Microbiocidal (E.G. fungicidal) 1,2,3-triazole derivatives SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-2258690-A1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives Syngenta Participations AG (CH) 2010-12-08 EP disclosed
CN-100548992-C The 1,2,3-triazoles derivative of microbicidel (for example sterilization) SYNGENTA PARTICIPATIONS AG (CH) 2009-10-14 CN disclosed
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-08-27 US disclosed
US-7531559-B2 Fungicidal 1,2,3 triazole derivatives SYNGENTA CROP PROTECTION, INC. (US) 2009-05-12 US disclosed
US-20060154967-A1 e.g. [2-methyl-5-trifluoromethyl-2H-1,2,3-triazole-4-carboxylic acid methyl ester; fungicide; against the phytopathogenic fungi: Fungi imperfecti (Botrytis, Pyricularia, Helminthosporium), Basidiomycetes (Rhizoctonia, Hemileia), Ascomycetes classes (Venturia, Erysiphe), Oomycetes classes (Phytophthora) SYNGENTA CROP PROTECTION, INC. 2006-07-13 US disclosed
CN-1678593-A Microbiocidal (e.g. fungicidal) 1,2,3-triazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2005-10-05 CN disclosed
EP-1539717-A2 MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2005-06-15 EP disclosed
WO-2004018438-A2 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-03-04 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-20060154967-A1 e.g. [2-methyl-5-trifluoromethyl-2H-1,2,3-triazole-4-carboxylic acid methyl ester; fungicide; against the phytopathogenic fungi: Fungi imperfecti (Botrytis, Pyricularia, Helminthosporium), Basidiomycetes (Rhizoctonia, Hemileia), Ascomycetes classes (Venturia, Erysiphe), Oomycetes classes (Phytophthora) CBR3, PAH, CBR1 NPC1 1169/4885PKM 3535/4885NPSR1 4575/4885
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES CBR3, CCR4, CBR1 NPC1 869/4885PKM 3144/4885NPSR1 2206/4885

“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.