SCHEMBL1961669

SCHEMBL1961669

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(NCCOC)c2C)c1OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.33
PDE4B Q07343 2/20 0.33
LMNA P02545 2/20 0.32
HCAR3 P49019 1/20 0.32
ADORA1 P30542 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR1 P21462 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALKBH1 Q13686 1/20 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
SCHEMBL1961670 0.88 CYP1A2 (0.34) PDE4BLMNAADORA1CYP1A2ADORA2A
SCHEMBL1882544 0.84 PDE4B (0.34) PDE4BLMNAKDM4EMEN1NPC1
SCHEMBL1882297 0.83 SMN1; SMN2 (0.35) PDE4BLMNAHCAR3ADORA1CYP1A2
SCHEMBL4583463 0.82 ABCB1 (0.37) LMNACYP1A2CYP3A4TSHRMAPK1
SCHEMBL1882782 0.78 PDE5A (0.36) PDE4BLMNACYP1A2CYP3A4TSHR
SCHEMBL12479130 0.77 CA12 (0.33) LMNAKDM4EMEN1NPC1KMT2A
SCHEMBL12636803 0.76 PDE4B (0.34) PDE4BLMNACYP1A2CYP3A4TSHR
SCHEMBL1878729 0.74 LMNA (0.35) PDE4BLMNAADORA1CYP1A2CYP3A4
SCHEMBL1965136 0.74 FPR1 (0.33) LMNAADORA1TSHRMAPK1ADORA2A
SCHEMBL17396886 0.73 GAA (0.32) LMNATSHRKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
EP-2152077-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS Bayer CropScience AG (DE) 2010-02-17 EP disclosed
WO-2008131861-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987718-A1 Utilisation of pyridine-2-oxy-3-carbon amides as safener Bayer CropScience AG (DE) 2008-11-05 EP disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 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 (7 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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 MCHR1 2116/4885PDE4B 3788/4885LMNA 3779/4885
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 MCHR1 3203/4885PDE4B 3585/4885LMNA 324/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 MCHR1 3031/4885PDE4B 2502/4885LMNA 627/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 MCHR1 4304/4885PDE4B 2404/4885LMNA 725/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 MCHR1 4357/4885PDE4B 2397/4885LMNA 148/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 MCHR1 3436/4885PDE4B 2184/4885LMNA 4190/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER MCHR1 1766/4885PDE4B 3548/4885LMNA 4833/4885

“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.