SCHEMBL4062307

SCHEMBL4062307

N=C(N)NC(=O)c1cn(-c2cc(N)nc3ncccc23)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.39
CYP2C9 P11712 2/20 0.39
PDE4A P27815 5/20 0.38
KCNH2 Q12809 6/20 0.36
ELANE P08246 2/20 0.36
HTR3A P46098 4/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35

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
SCHEMBL4063095 0.86 PDE4A (0.39) RORCCYP2C9PDE4AKCNH2ELANE
SCHEMBL4061518 0.81 PDE4A (0.41) RORCPDE4AKCNH2ELANEHTR3A
SCHEMBL4060222 0.80 PDE4A (0.39) RORCCYP2C9PDE4AKCNH2ELANE
SCHEMBL4069712 0.80 KDM4E (0.46) RORCPDE4AKCNH2HTR3ACNR1
SCHEMBL4060598 0.80 SMN1; SMN2 (0.42) RORCPDE4AKCNH2ELANE
Hydrochloric Acid SCHEMBL4063788 0.79 SMN1; SMN2 (0.42) RORCPDE4AKCNH2ELANE
SCHEMBL4068255 0.78 SLC9A1 (0.41) RORCPDE4AKCNH2ELANE
SCHEMBL4058462 0.78 HTR3A (0.54) PDE4AKCNH2ELANEHTR3ACNR1
SCHEMBL4058513 0.78 KCNH2 (0.47) RORCPDE4AKCNH2HTR3ACNR1
SCHEMBL4062806 0.78 PDE4A (0.40) PDE4AKCNH2ELANEHTR3ACNR1

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 RORC 1476/4885CYP2C9 672/4885PDE4A 842/4885

“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.