SCHEMBL7126841

SCHEMBL7126841

Cc1cncc(CCn2ccsc2=N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39
TKT P29401 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
INMT O95050 2/20 0.36
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
ALDH1A1 P00352 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23749731 0.70 KMT2A (0.47) CHRNB2CHRNA4CHRNA1CHRNA7NPC1
SCHEMBL6640697 0.70 TLR8 (0.46) CYP11B1CYP11B2
SCHEMBL7123376 0.69 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7NPC1
SCHEMBL30419289 0.68 SIGMAR1 (0.47) CYP11B1CYP11B2MAPT
SCHEMBL4289948 0.65 TKT (0.44) CHRNB2CHRNA4TKTCYP11B1CYP11B2
SCHEMBL4410512 0.65 NOS1 (0.42) TKTCYP11B1CYP11B2
SCHEMBL9917318 0.64 NOS1 (0.39) TKTCYP11B1CYP11B2
SCHEMBL6630716 0.63 TKT (0.54) TKTCYP11B1CYP11B2
SCHEMBL27955068 0.63 NOS1 (0.41) TKTCYP11B1CYP11B2
SCHEMBL7504394 0.63 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA1CHRNA7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 CHRNB2 4/4885CHRNA4 11/4885CHRNA1 3/4885

“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.