SCHEMBL1961670

SCHEMBL1961670

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(NCCOC)c2C)c1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TTK P33981 1/20 0.34
LMNA P02545 1/20 0.33
PDE4B Q07343 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL1961669 0.88 MCHR1 (0.33) CYP1A2CYP2C19LMNAPDE4BKMT2A
SCHEMBL1882297 0.85 SMN1; SMN2 (0.35) CYP1A2CYP2C9CYP2C19LMNAPDE4B
SCHEMBL1882544 0.82 PDE4B (0.34) LMNAPDE4BALDH1A1SMN1; SMN2KMT2A
SCHEMBL1882782 0.80 PDE5A (0.36) CYP1A2CYP2C9CYP2C19LMNAPDE4B
SCHEMBL12636803 0.77 PDE4B (0.34) CYP1A2CYP2C9CYP2C19LMNAPDE4B
SCHEMBL1878729 0.75 LMNA (0.35) CYP1A2CYP2C9CYP2C19LMNAPDE4B
SCHEMBL1965136 0.75 FPR1 (0.33) LMNAALDH1A1HTTSMN1; SMN2ADORA2A
SCHEMBL12479131 0.75 APOBEC3A (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4619309 0.74 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2
SCHEMBL14570910 0.74 SYK (0.32) LMNAALDH1A1GAAHTTSMN1; SMN2

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-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
EP-1987718-A1 Utilisation of pyridine-2-oxy-3-carbon amides as safener 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 CYP1A2 18/4885CYP2C9 192/4885CYP2C19 442/4885
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 CYP1A2 55/4885CYP2C9 241/4885CYP2C19 746/4885
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 CYP1A2 16/4885CYP2C9 174/4885CYP2C19 422/4885
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 CYP1A2 74/4885CYP2C9 123/4885CYP2C19 490/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 CYP1A2 51/4885CYP2C9 88/4885CYP2C19 330/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CYP1A2 220/4885CYP2C9 656/4885CYP2C19 1599/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER CYP1A2 1091/4885CYP2C9 1573/4885CYP2C19 3507/4885

“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.