SCHEMBL3533799

SCHEMBL3533799

N#CNC(=Nc1ccncc1)NCCCCCCOc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
HRH4 Q9H3N8 5/20 0.41
IKBKB O14920 1/20 0.41
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
KMT2A Q03164 1/20 0.38
PTAFR P25105 1/20 0.37
IMPDH2 P12268 1/20 0.36

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
SCHEMBL8051025 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504220 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504466 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504459 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504267 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504458 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8054318 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504467 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8054097 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL504829 0.90 CYP3A4 (0.47) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19

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 9 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-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 (2 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 NAMPT 2639/4885CYP3A4 814/4885CYP2D6 66/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 NAMPT 2731/4885CYP3A4 862/4885CYP2D6 84/4885

“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.