SCHEMBL3173290

SCHEMBL3173290

CCCc1nc2cnc3ccccc3c2n1CCCO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.59
TSHR P16473 3/20 0.44
TLR8 Q9NR97 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL5618015 0.96 TLR7 (0.55) TLR7TSHRTLR8LMNAMAPT
SCHEMBL10123169 0.93 TLR7 (0.50) TLR7TSHRTLR8LMNAMAPT
SCHEMBL3178411 0.91 TLR7 (0.60) TLR7TLR8LMNAALDH1A1MEN1
SCHEMBL6106242 0.88 TLR7 (0.56) TLR7TLR8
SCHEMBL5349914 0.88 TLR7 (0.47) TLR7TLR8LMNAMAPTHPGD
SCHEMBL3968315 0.87 TLR7 (0.59) TLR7TLR8LMNAMAPTHPGD
SCHEMBL5354895 0.87 TLR7 (0.47) TLR7TLR8LMNAMAPTHPGD
SCHEMBL4307950 0.86 TLR7 (0.49) TLR7TSHRTLR8MAPTALDH1A1
SCHEMBL5617844 0.86 TLR7 (0.45) TLR7TSHRTLR8LMNAMAPT
SCHEMBL5617119 0.86 TLR7 (0.45) TLR7TLR8LMNAHPGDSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
EP-1653955-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-29 EP disclosed
EP-1653914-A4 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-29 EP disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1653914-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
EP-1653955-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
WO-2005018551-A2 OXIME SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
WO-2005018556-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO-CONTAINING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 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-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 TLR7 93/4885TSHR 2239/4885TLR8 177/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 69/4885TSHR 1047/4885TLR8 139/4885

“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.