SCHEMBL6638993

SCHEMBL6638993

Nc1nccn1CCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.50
FLT1 P17948 5/20 0.46
KDR P35968 5/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ARG1 P05089 1/20 0.42
HRH1 P35367 2/20 0.39

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
SCHEMBL8543898 0.86 TLR8 (0.50) TLR8L3MBTL1CYP1A2CYP3A4ARG1
SCHEMBL6638666 0.83 TLR8 (0.47) TLR8TDP1L3MBTL1ARG1
SCHEMBL6639388 0.83 TLR8 (0.47) TLR8FLT1KDRCYP1A2CYP3A4
SCHEMBL6642392 0.81 TLR8 (0.46) TLR8FLT1KDRLOXL2ARG1
SCHEMBL6636184 0.81 TLR8 (0.49) TLR8FLT1KDRARG1
SCHEMBL6639655 0.80 CHRNA7 (0.50) TLR8TDP1L3MBTL1HRH3CYP1A2
SCHEMBL10418876 0.79 KDR (0.44) FLT1KDRTDP1L3MBTL1HRH3
SCHEMBL10418894 0.79 ALDH1A1 (0.53) FLT1KDRTDP1L3MBTL1HRH3
SCHEMBL6639142 0.76 LMNA (0.52) TLR8L3MBTL1
SCHEMBL6640843 0.76 TLR8 (0.47) TLR8L3MBTL1ARG1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185521-B1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP claimed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US claimed
CN-1366521-A Substituted 1-aza-2-imino heterocycles and their use as nicotinic acetylcholine receptors activators SUNTORY LTD (JP) 2002-08-28 CN claimed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP claimed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
EP-1185521-B1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US disclosed
CN-1366521-A Substituted 1-aza-2-imino heterocycles and their use as nicotinic acetylcholine receptors activators SUNTORY LTD (JP) 2002-08-28 CN 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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 TLR8 1132/4885FLT1 3429/4885KDR 1903/4885

“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.