SCHEMBL715549

SCHEMBL715549

O=c1ccncn1-c1cccc(Sc2cccc(-n3cnccc3=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
HTR2C P28335 2/20 0.36
IDO1 P14902 1/20 0.35
DDAH1 O94760 1/20 0.32
NOS1 P29475 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GCK P35557 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL715550 0.79 CYP3A4 (0.37) CYP3A4CYP2C9MAPK14IDO1KMT2A
SCHEMBL9827675 0.77 ALDH1A1 (0.46) CYP3A4CYP2C9KMT2AHTTKDM4E
SCHEMBL26979909 0.76 ALDH1A1 (0.50) HTTKDM4EALDH1A1
SCHEMBL3480507 0.71 GCK (0.36) MAPK14MAPK13MAPK12MAPK11HTR2C
SCHEMBL18011080 0.67 MAPT (0.48) CYP3A4CYP2C9KMT2AHTTKDM4E
SCHEMBL15875971 0.65 MGLL (0.69) HTR2CHTTALDH1A1SMN1; SMN2
SCHEMBL27250761 0.65 CYP3A4 (0.36) CYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL2812270 0.65 CYP2A6 (0.51) CYP3A4CYP2C9HTR2CKDM4EALDH1A1
SCHEMBL22230100 0.62 CYP11B2 (0.44) IDO1
SCHEMBL27253970 0.62 ELANE (0.43) CYP3A4CYP2C9ALDH1A1

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-20140221201-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-08-07 US disclosed
US-20140213445-A1 Use of Pesticidal Active 3-Arylquinazolin-4-One Derivatives in Soil Application Methods BASF SE (DE) 2014-07-31 US disclosed
EP-2750506-A2 USE OF PESTICIDAL ACTIVE 3-ARYLQUINAZOLIN-4-ONE DERIVATIVES IN SOIL APPLICATION METHODS BASF SE (DE) 2014-07-09 EP disclosed
EP-2750503-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-07-09 EP disclosed
EP-2750507-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-07-09 EP disclosed
US-8765774-B2 3-arylquinazolin-4-one compounds for combating invertebrate pests BASF SE (DE) 2014-07-01 US disclosed
EP-2403837-B1 3-ARYLQUINAZOLIN-4-ONE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-12-11 EP disclosed
WO-2013030319-A2 USE OF PESTICIDAL ACTIVE 3-ARYLQUINAZOLIN-4-ONE DERIVATIVES IN SOIL APPLICATION METHODS BASF SE (DE) 2013-03-07 WO disclosed
WO-2013030338-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2013-03-07 WO disclosed
WO-2013030262-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2013-03-07 WO disclosed
US-7612105-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-11-03 US disclosed
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-02 US disclosed
EP-1076053-B1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-11-29 EP disclosed
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6858639-B2 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-02-22 US disclosed
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-04-10 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 US disclosed
EP-1076053-A1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-02-14 EP 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 (6 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-20140221201-A1 INSECTICIDAL ACTIVE MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS MCU, AGK, NLN CYP3A4 1014/4885CYP2C9 1427/4885MAPK14 3302/4885
US-20140213445-A1 Use of Pesticidal Active 3-Arylquinazolin-4-One Derivatives in Soil Application Methods DDT, TYR, DPYSL3 CYP3A4 1719/4885CYP2C9 766/4885MAPK14 1431/4885
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 CYP3A4 15/4885CYP2C9 5/4885MAPK14 2082/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 CYP3A4 22/4885CYP2C9 5/4885MAPK14 2570/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 CYP3A4 15/4885CYP2C9 5/4885MAPK14 2082/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 CYP3A4 15/4885CYP2C9 5/4885MAPK14 2082/4885

“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.