SCHEMBL3176199

SCHEMBL3176199

Nc1nc2c(c3c1ncn3CCCCO)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.43
ADORA2A P29274 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ADCY1 Q08828 1/20 0.36
ADORA1 P30542 1/20 0.35
CHRNE Q04844 1/20 0.34
CTSL P07711 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AMPD2 Q01433 2/20 0.32
ACHE P22303 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADCY5 O95622 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
SCHEMBL8126995 0.96 ADORA2A (0.46) TK1ADORA2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL3817534 0.89 ACHE (0.34) ADORA2ANPC1ALDH1A1MAPTTHRB
SCHEMBL8114300 0.87 CSNK2A2 (0.43) ADORA2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL8121668 0.86 ADORA2A (0.46) ADORA2AADORA1NPC1ALDH1A1MAPT
SCHEMBL7551424 0.86 CHRNE (0.33) ADORA2ACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL3178293 0.85 ALDH1A1 (0.33) ADORA2ANPC1ALDH1A1MAPTTHRB
SCHEMBL4917188 0.82 NPC1 (0.32) NPC1ALDH1A1MAPTTHRBRAB9A
SCHEMBL3162983 0.81 ALDH1A1 (0.34) NPC1ALDH1A1MAPTTHRBRAB9A
SCHEMBL14516490 0.80 TLR7 (0.41) NPC1ALDH1A1MAPTTHRBRAB9A
Dimethylformamide SCHEMBL9048332 0.78 CSNK2A2 (0.36) ADORA2ACSNK2A2CSNK2BCSNK2A1CSNK2A3

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 TK1 241/4885ADORA2A 1737/4885CSNK2A2 1357/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 TK1 224/4885ADORA2A 2889/4885CSNK2A2 511/4885

“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.