SCHEMBL9979236

SCHEMBL9979236

Nc1nc2ccccc2c2c1nc1n2[C@@H](CCCNS(=O)(=O)c2ccccc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.41
TLR8 Q9NR97 4/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HMOX1 P09601 1/20 0.35
NPY5R Q15761 3/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL2512664 0.90 TLR7 (0.52) TLR7TLR8
SCHEMBL11917592 0.90 TLR7 (0.52) TLR7TLR8
SCHEMBL9979167 0.88 TLR7 (0.42) TLR7TLR8
SCHEMBL9979417 0.86 TLR7 (0.40) TLR7TLR8ALDH1A1LMNANPY5R
SCHEMBL9979223 0.85 BCHE (0.40) KDM4EALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL2513263 0.85 TLR7 (0.39) TLR7TLR8
SCHEMBL9979161 0.83 TLR7 (0.44) TLR7TLR8
SCHEMBL2514666 0.83 TLR7 (0.42) TLR7TLR8
SCHEMBL2520325 0.83 TLR7 (0.42) TLR7TLR8
SCHEMBL9979428 0.82 TLR7 (0.47) TLR7TLR8KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 TLR7 171/4885TLR8 359/4885GBA1 2259/4885

“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.