SCHEMBL6637544

SCHEMBL6637544

Nc1nccn1CCc1cnc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.45
ARG1 P05089 1/20 0.38
KCNH2 Q12809 2/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.32
TYMP P19971 1/20 0.31

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
SCHEMBL7508710 0.84 LMNA (0.42) TLR8KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL6639388 0.71 TLR8 (0.47) TLR8ARG1KCNH2CYP1A2CYP2C9
SCHEMBL6641714 0.71 TLR8 (0.44) TLR8ARG1KCNH2TSHRTYMP
SCHEMBL7120556 0.71 CHRNB2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL6639142 0.71 LMNA (0.52) TLR8LMNAGAAL3MBTL1KMT2A
SCHEMBL6637907 0.70 TLR8 (0.43) TLR8ARG1KCNH2TSHRLMNA
SCHEMBL6636184 0.69 TLR8 (0.49) TLR8ARG1KCNH2TSHRTYMP
SCHEMBL27658200 0.69 TLR8 (0.67) TLR8ARG1KCNH2TSHRALDH1A1
SCHEMBL3648737 0.68
SCHEMBL6642531 0.68 TLR8 (0.47) TLR8ARG1KCNH2TSHRTYMP

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 10 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
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 disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO 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 1132/4885ARG1 1993/4885KCNH2 1393/4885

“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.