SCHEMBL6640697

SCHEMBL6640697

Cc1cncc(CCn2ccnc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TSHR P16473 1/20 0.39
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
NOS1 P29475 3/20 0.37
NOS2 P35228 1/20 0.37
ARG1 P05089 1/20 0.37
BRD4 O60885 1/20 0.34
NOS3 P29474 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6636963 0.82 TLR8 (0.43) TLR8TSHRARG1
SCHEMBL6636184 0.80 TLR8 (0.49) TLR8TSHRARG1BRD4
SCHEMBL6639655 0.76 CHRNA7 (0.50) TLR8
SCHEMBL6640843 0.75 TLR8 (0.47) TLR8TSHRARG1
SCHEMBL6638993 0.74 TLR8 (0.50) TLR8ARG1CYP3A4
SCHEMBL6637907 0.73 TLR8 (0.43) TLR8TSHRCYP11B1CYP11B2ARG1
SCHEMBL8543898 0.71 TLR8 (0.50) TLR8ARG1CYP3A4
SCHEMBL6642392 0.71 TLR8 (0.46) TLR8TSHRARG1
SCHEMBL7126841 0.70 CHRNB2 (0.45) CYP11B1CYP11B2
SCHEMBL6638666 0.69 TLR8 (0.47) TLR8ARG1

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 1132/4885TSHR 532/4885CYP11B1 24/4885

“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.