SCHEMBL164144

SCHEMBL164144

Fc1cc(F)c(-c2ccn3ncnc3n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
PDE10A Q9Y233 1/20 0.36
MAPK1 P28482 2/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
EGFR P00533 1/20 0.30
KDR P35968 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
SCHEMBL3636753 0.71 ALDH1A1 (0.42) KDM4EALDH1A1MAPK1HPGDPOLB
SCHEMBL16996752 0.70 MAPK1 (0.37) KDM4EALDH1A1MAPK1
SCHEMBL23143432 0.69 PIK3CD (0.55) KDM4EALDH1A1PDE10AMAPK1KCNH2
SCHEMBL9372254 0.69 KDM4E (0.45) KDM4EALDH1A1PDE10AMAPK1KCNH2
SCHEMBL1978101 0.67 MAPK1 (0.36) KDM4EALDH1A1PDE10AMAPK1
SCHEMBL8607929 0.66 MAPK1 (0.41) KDM4EALDH1A1MAPK1KCNH2HPGD
SCHEMBL5634310 0.65 PDE10A (0.45) KDM4EALDH1A1PDE10AMAPK1KCNH2
SCHEMBL8648652 0.65 PDE10A (0.45) KDM4EALDH1A1PDE10AMAPK1KCNH2
SCHEMBL362643 0.65 PDE10A (0.45) KDM4EALDH1A1PDE10AMAPK1KCNH2
SCHEMBL9933093 0.65 PDE10A (0.45) KDM4EALDH1A1PDE10AMAPK1KCNH2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575470-A1 PESTICIDAL MIXTURES BASF SE (DE) 2013-04-10 EP claimed
EP-2547209-A2 FUNGICIDAL COMPOSITIONS COMPRISING A PHOSPHATE SOLUBILIZING MICROORGANISM AND A FUNGICIDALLY ACTIVE COMPOUND BASF SE (DE) 2013-01-23 EP claimed
WO-2011147953-A1 PESTICIDAL MIXTURES BASF SE (DE) 2011-12-01 WO claimed
WO-2011114280-A2 FUNGICIDAL COMPOSITIONS COMPRISING COMPRISING A PHOSPHATE SOLUBILIZING MICROORGANISM AND A FUNGICIDALLY ACTIVE COMPOUND BASF SE (DE) 2011-09-22 WO claimed
EP-2091326-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND Bayer CropScience SA (FR) 2009-08-26 EP claimed
WO-2008071672-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO claimed
EP-1926370-A2 METHOD FOR PROTECTING PHYTOPATHOGENIC AGENTS BY KIRALAXYL, THE USE THEREOF AND USED SUBSTANCES BASF SE (DE) 2008-06-04 EP claimed
WO-2007031283-A2 METHOD FOR PROTECTING PHYTOPATHOGENIC AGENTS BY KIRALAXYL, THE USE THEREOF AND USED SUBSTANCES BASF SE (DE) 2007-03-22 WO claimed
EP-2903437-A1 USE OF N-THIO-ANTHRANILAMIDE COMPOUNDS ON CULTIVATED PLANTS BASF SE (DE) 2015-08-12 EP disclosed
WO-2014053395-A1 USE OF N-THIO-ANTHRANILAMIDE COMPOUNDS ON CULTIVATED PLANTS BASF SE (DE) 2014-04-10 WO disclosed
WO-2012029968-A1 BENZAMIDE DERIVATIVE OR ITS SALT, AND INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-03-08 WO disclosed
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 US disclosed
EP-2096921-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI, AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2009-09-09 EP disclosed
EP-2091326-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND Bayer CropScience SA (FR) 2009-08-26 EP disclosed
WO-2008012234-A2 AZOLYLMETHYLOXIRANES, USE THEREOF FOR CONTROLLING PLANT PATHOGENIC FUNGI, AND AGENTS CONTAINING THE SAME BASF SE (DE) 2008-01-31 WO disclosed
WO-2008003744-A2 N-METHYL BENZAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO disclosed
WO-2007101804-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR CONTROLLING PARASITIC FUNGI AND AGENTS COMPRISING THE SAME BASF SE (DE) 2007-09-13 WO disclosed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 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 (1 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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides CBR3, CBR1, CYCS KDM4E 3173/4885ALDH1A1 2391/4885PDE10A 4804/4885

“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.