SCHEMBL4059140

SCHEMBL4059140

N=C(N)NC(=O)c1cn(-c2cccc3scnc23)c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.38
PDE4A P27815 4/20 0.37
MALT1 Q9UDY8 3/20 0.36
KCNH2 Q12809 3/20 0.35
RORC P51449 2/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
CYP2C9 P11712 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL4069712 0.85 KDM4E (0.46) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4068932 0.83 PDE4A (0.39) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4068255 0.82 SLC9A1 (0.41) PDE4AMALT1KCNH2RORC
SCHEMBL4064052 0.81 PARP1 (0.42) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4061518 0.80 PDE4A (0.41) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4067514 0.80 PDE4A (0.37) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4063624 0.79 HTR3A (0.56) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4063095 0.78 PDE4A (0.39) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4062063 0.78 PDE4A (0.37) HTR3APDE4AKCNH2RORCCNR1
SCHEMBL4061480 0.78 HTR3A (0.40) HTR3APDE4AMALT1KCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP claimed
US-7230007-B2 Derivatives of 3-(Guanidinocarbonyl) heterocycle, methods of preparation and intermediates thereof, their use as medicaments, and pharmaceutical compositions therefrom SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-12 US claimed
EP-1641791-A1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM Sanofi-Aventis Deutschland GmbH (DE) 2006-04-05 EP claimed
US-20050014758-A1 Derivatives of 3-(guanidinocarbonyl) heterocycle, methods of preparation and intermediates thereof, their use as medicaments, and pharmaceutical compositions therefrom AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 US claimed
WO-2004111048-A1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-12-23 WO claimed
EP-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
US-7230007-B2 Derivatives of 3-(Guanidinocarbonyl) heterocycle, methods of preparation and intermediates thereof, their use as medicaments, and pharmaceutical compositions therefrom SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-20050014758-A1 Derivatives of 3-(guanidinocarbonyl) heterocycle, methods of preparation and intermediates thereof, their use as medicaments, and pharmaceutical compositions therefrom AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 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 (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-20050014758-A1 Derivatives of 3-(guanidinocarbonyl) heterocycle, methods of preparation and intermediates thereof, their use as medicaments, and pharmaceutical compositions therefrom TNNI3, TNNT2, TNNC1 HTR3A 2003/4885PDE4A 842/4885MALT1 4467/4885

“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.