SCHEMBL4064713

SCHEMBL4064713

N=C(N)NC(=O)c1cn(-c2ccnc3cnccc23)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.40
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
ELANE P08246 1/20 0.37
KCNH2 Q12809 5/20 0.36
PDE4A P27815 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
KDM5B Q9UGL1 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
SCHEMBL4063790 0.93 HTR3A (0.40) HTR3AKDM5AKDM4CKDM4EKDM6B
SCHEMBL4060771 0.89 PDE4A (0.40) HTR3AELANEKCNH2PDE4ACNR1
SCHEMBL4068255 0.86 SLC9A1 (0.41) ELANEKCNH2PDE4AL3MBTL1
SCHEMBL4061480 0.86 HTR3A (0.40) HTR3AKDM5AKDM4CKDM4EKDM6B
SCHEMBL4063095 0.85 PDE4A (0.39) HTR3AELANEKCNH2PDE4ACNR1
SCHEMBL4067514 0.84 PDE4A (0.37) HTR3AKDM4EELANEKCNH2PDE4A
SCHEMBL4059266 0.83 HTR3A (0.55) HTR3AKCNH2PDE4APKM
SCHEMBL4060606 0.82 NUDT1 (0.41) HTR3AKCNH2PDE4ACNR1CNR2
SCHEMBL4058513 0.82 KCNH2 (0.47) HTR3AKCNH2PDE4APKMCNR1
SCHEMBL4060477 0.81 ELANE (0.41) HTR3AELANEKCNH2PDE4ACNR1

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 2003/4885KDM5A 3513/4885KDM4C 3291/4885

“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.