SCHEMBL4061136

SCHEMBL4061136

CS(=O)(=O)n1ccc2c(-n3cc(C(=O)NC(=N)N)c4cccnc43)cccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
PDE4A P27815 4/20 0.35
KCNH2 Q12809 4/20 0.35
HTR3A P46098 8/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL4059167 0.81 PABPC1 (0.43) PDE4AKCNH2HTR3ACNR1CNR2
SCHEMBL4068255 0.80 SLC9A1 (0.41) PDE4AKCNH2
SCHEMBL4069712 0.77 KDM4E (0.46) PDE4AKCNH2HTR3ACNR1CNR2
SCHEMBL4063095 0.77 PDE4A (0.39) PDE4AKCNH2HTR3ACNR1CNR2
SCHEMBL4059306 0.77 PDE4A (0.50) PDE4AKCNH2HTR3A
SCHEMBL4061518 0.76 PDE4A (0.41) PDE4AKCNH2HTR3ACNR1CNR2
SCHEMBL4065600 0.76 KCNH2 (0.52) PDE4AKCNH2HTR3AMAP3K14
Hydrochloric Acid SCHEMBL4063390 0.76 PDE4A (0.49) PDE4AKCNH2HTR3A
SCHEMBL4062063 0.76 PDE4A (0.37) HTR6PDE4AKCNH2HTR3ACNR1
SCHEMBL4061480 0.76 HTR3A (0.40) PDE4AKCNH2HTR3ACNR1CNR2

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 HTR6 2481/4885PDE4A 842/4885KCNH2 52/4885

“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.