SCHEMBL6697201

SCHEMBL6697201

N#CN(C(=N)NCCCCCCc1cncnc1)c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
PLA2G7 Q13093 1/20 0.33
PTAFR P25105 4/20 0.32
FES P07332 1/20 0.32
RET P07949 1/20 0.32
MARK3 P27448 1/20 0.32
TYK2 P29597 1/20 0.32
FLT4 P35916 1/20 0.32
SYK P43405 1/20 0.32
CLK2 P49760 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HRH2 P25021 1/20 0.31
NAMPT P43490 1/20 0.31
NAAA Q02083 1/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL4893897 0.81 FAAH (0.36) HRH4NAMPT
SCHEMBL7609149 0.79 CYP1A2 (0.53) NAAA
SCHEMBL7689126 0.79 CYP1A2 (0.53) NAAA
SCHEMBL7689408 0.79 CYP1A2 (0.53) NAAA
SCHEMBL6699717 0.76 CHRNB2 (0.41) PTAFRFESRETMARK3TYK2
SCHEMBL5265530 0.76 HRH4 (0.32) HRH4
SCHEMBL7070178 0.74 CYP3A4 (0.44)
SCHEMBL7692290 0.73 KEAP1 (0.38) HRH4NAAA
SCHEMBL504616 0.70 HRH4 (0.51) HRH4PTAFRHRH2HRH1
SCHEMBL810402 0.70 IKBKB (0.46) HRH4PTAFRHRH2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040220408-A1 Novel pyridyl cyanoguanidine compounds DAO, AOC1, SIGMAR1 HRH4 159/4885PLA2G7 3504/4885PTAFR 4057/4885

“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.