SCHEMBL504572

SCHEMBL504572

N#CNC(=Nc1ccncc1)NCCCCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.63
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL7098788 0.81 HRH4 (0.43) QPCT
SCHEMBL7900339 0.80 NAAA (0.48) QPCT
SCHEMBL7898979 0.80 NAAA (0.48) QPCT
SCHEMBL7677658 0.80 HRH4 (0.43) QPCT
SCHEMBL7902073 0.80 NAAA (0.48) QPCT
SCHEMBL17554838 0.79 QPCT (0.38) QPCT
SCHEMBL1309551 0.79 QPCT (0.38) QPCT
SCHEMBL810972 0.78 QPCT (0.51) QPCTSMN1; SMN2NPC1
SCHEMBL7262289 0.77 CYP1A2 (0.53) QPCT
SCHEMBL7261276 0.77 CYP1A2 (0.53) QPCT

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 QPCT 1391/4885SMN1; SMN2 2210/4885NPC1 1991/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 QPCT 1160/4885SMN1; SMN2 2438/4885NPC1 2229/4885
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF PLPBP, PYGL, QDPR QPCT 666/4885SMN1; SMN2 2943/4885NPC1 1890/4885

“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.