SCHEMBL6099996

SCHEMBL6099996

CCOCc1nc2cnc3ccccc3c2n1CCCCCCCCCCn1c(COCC)nc2cnc3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.49
TLR7 Q9NYK1 9/20 0.47
NUDT1 P36639 1/20 0.45
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4313003 0.95 TLR8 (0.46) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4308938 0.94 TLR8 (0.47) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4319537 0.93 TLR8 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL8326936 0.93 TLR8 (0.53) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL3168166 0.93 TLR8 (0.46) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4792464 0.92 TLR7 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL6723768 0.91 TLR8 (0.48) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4793161 0.90 TLR8 (0.50) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL4317829 0.90 TLR8 (0.46) TLR8TLR7NUDT1TSHRMEN1
SCHEMBL5616943 0.89 TLR8 (0.46) TLR8TLR7NUDT1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112677-B2 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-26 US disclosed
EP-1542688-A2 1H-IMIDAZO DIMERS 3M Innovative Properties Company (US) 2005-06-22 EP disclosed
US-20050026947-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
US-6818650-B2 1H-IMIDAZO(4,5-C)- QUINOLINE OR -PYRIDINE DERIVATIVES; INDUCE BIOSYNTHESIS OF CYTOKINES; VIRAL DISEASES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-11-16 US disclosed
US-20040132766-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
WO-2004028539-A2 1H-IMIDAZO DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 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 (2 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-20050026947-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR8 176/4885TLR7 173/4885NUDT1 1332/4885
US-20040132766-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR8 176/4885TLR7 173/4885NUDT1 1332/4885

“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.