SCHEMBL4067501

SCHEMBL4067501

O=C(O)c1cn(-c2ccncc2)c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.56
PDE4A P27815 4/20 0.51
KCNH2 Q12809 4/20 0.51
KDM4E B2RXH2 5/20 0.48
KDM4C Q9H3R0 3/20 0.46
KDM6B O15054 2/20 0.46
KDM5A P29375 2/20 0.46
PKM P14618 1/20 0.45
KDM6A O15550 1/20 0.44
TET3 O43151 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
TET2 Q6N021 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
TET1 Q8NFU7 1/20 0.44
FTO Q9C0B1 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
SCHEMBL7170883 0.90 KCNH2 (0.60) RORCPDE4AKCNH2KDM4EKDM4C
Hydrochloric Acid SCHEMBL4062663 0.86 RORC (0.51) RORCPDE4AKCNH2PKMCYP2C9
SCHEMBL4068109 0.83 KCNH2 (0.53) RORCPDE4AKCNH2KDM4EHTR3A
SCHEMBL4063711 0.81 RORC (0.53) RORCPDE4AKCNH2KDM4E
SCHEMBL7173606 0.81 PDE4A (0.70) RORCPDE4AKCNH2KDM4E
SCHEMBL28517886 0.80 PDE4A (0.61) RORCPDE4AKCNH2KDM4ECAPN1
SCHEMBL15557831 0.80 HTR3A (0.57) RORCPDE4AKCNH2KDM4EKDM4C
SCHEMBL4060213 0.79 HTR3A (0.54) RORCPDE4AKCNH2KDM4EKDM4C
SCHEMBL4058513 0.79 KCNH2 (0.47) RORCPDE4AKCNH2PKMHTR3A
SCHEMBL15421267 0.79 NR4A2 (0.56) RORCKDM4ECYP2C9HTR3ACAPN1

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 5 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 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
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 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
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 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 1476/4885PDE4A 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.