SCHEMBL544697

SCHEMBL544697

Nc1nc2ccccc2c2c1ncn2CCOCCCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
ADORA2A P29274 1/20 0.48
ADRA1A P35348 1/20 0.48
NUDT1 P36639 1/20 0.48
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
TLR8 Q9NR97 5/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
Trifluoroacetic Acid SCHEMBL6698416 0.92 TLR7 (0.45) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6107460 0.91 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6702071 0.90 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6694771 0.89 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6698894 0.89 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
Hydrochloric Acid SCHEMBL6700826 0.88 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6699331 0.86 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6696690 0.85 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6695790 0.83 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL6104970 0.83 TLR7 (0.51) TLR7LMNAPOLBHRH2ADRA1D

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450804-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M Innovative Properties Company (US) 2004-09-01 EP claimed
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US claimed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US claimed
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY 2003-10-23 US claimed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP claimed
WO-2003045391-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-05 WO claimed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US claimed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO claimed
US-8110582-B2 by administering immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-07 US disclosed
US-7968562-B2 an immune response modifier (IRM) compound 2-methyl-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]naphthyridin-4-amine; fatty acids such as oleic acid, isostearic acid; hydrophobic, aprotic caprylic/capric triglyceride miscible with fatty acid; actinic keratosis, postsurgical scars, warts, atopic dermatitis 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed
EP-1450804-B9 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-04-01 EP disclosed
EP-1719511-B1 N-[4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide, a pharmaceutical composition comprising the same and use thereof 3M INNOVATIVE PROPERTIES CO (US) 2008-12-10 EP disclosed
US-20080275077-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER SKWIERCZYNSKI RAYMOND D 2008-11-06 US disclosed
EP-1450804-B1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2008-08-27 EP disclosed
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-20040014779-A1 Methods and compositions related to IRM compounds and toll-like recptor pathways 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (5 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 TLR7 35/4885LMNA 3958/4885POLB 3364/4885
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier ICOS, STAT6, INMT TLR7 35/4885LMNA 3901/4885POLB 3610/4885
US-20040014779-A1 Methods and compositions related to IRM compounds and toll-like recptor pathways TLR4, TLR3, TLR6 TLR7 8/4885LMNA 3294/4885POLB 2799/4885
US-20080275077-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER ICOS, STAT6, INMT TLR7 36/4885LMNA 3865/4885POLB 3601/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 TLR7 35/4885LMNA 3958/4885POLB 3364/4885

“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.