SCHEMBL504107

SCHEMBL504107

N#CNC(=Nc1ccncc1)NCCCCCCc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.44
NAMPT P43490 2/20 0.44
HRH2 P25021 2/20 0.42
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FAAH O00519 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 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
SCHEMBL7898798 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7900325 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7902070 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7900515 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7900342 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7900432 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7902060 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL7900528 0.83 HRH4 (0.54) HRH4NAMPTHRH2HRH3TRPV1
SCHEMBL809903 0.81 NAMPT (0.46) HRH4NAMPTPDGFRBPDGFRAFAAH
SCHEMBL504319 0.81 HRH4 (0.59) HRH4HRH2ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US claimed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP claimed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US claimed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 US claimed
US-20040220408-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2004-11-04 US claimed
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 US disclosed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP disclosed
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US disclosed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 US disclosed
US-20040220408-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2004-11-04 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 (3 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-20040220408-A1 Novel pyridyl cyanoguanidine compounds DAO, AOC1, SIGMAR1 HRH4 159/4885NAMPT 2639/4885HRH2 196/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 HRH4 57/4885NAMPT 2731/4885HRH2 42/4885
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF PLPBP, PYGL, QDPR HRH4 1716/4885NAMPT 511/4885HRH2 997/4885

“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.