SCHEMBL3350693

SCHEMBL3350693

CC(C)Cn1cnc2cnc3cccnc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
PDE4D Q08499 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
NUDT1 P36639 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
HTR2C P28335 3/20 0.40
USP7 Q93009 1/20 0.36
APAF1 O14727 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3195223 0.80 HTR2A (0.52) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL564029 0.79 TLR7 (0.59) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL29379266 0.79 TLR7 (0.59) TLR7HTR2AHTR2BPDE4DPOLB
Hydrochloric Acid SCHEMBL5435065 0.78 TLR7 (0.58) TLR7HTR2AHTR2BPDE4DPOLB
Ammonia Solution, Strong SCHEMBL4818558 0.78 TLR7 (0.58) TLR7HTR2AHTR2BPDE4DPOLB
Hydrochloric Acid SCHEMBL9602331 0.77 TLR7 (0.56) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL29350668 0.77 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL5528022 0.77 TLR7 (0.50) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL29454521 0.77 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL544542 0.77 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678918-B2 Intermediates for imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 US disclosed
US-20090124652-A1 Polymorphs of 1-(2-Methylpropyl)-1H-Imidazo[4,5-C][1,5]Naphthyridin-4-Amine Ethane-Sulfonate TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-14 US disclosed
US-20090124652-A1 Polymorphs of 1-(2-Methylpropyl)-1H-Imidazo[4,5-C][1,5]Naphthyridin-4-Amine Ethane-Sulfonate TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-14 US disclosed
US-20090124652-A1 Polymorphs of 1-(2-Methylpropyl)-1H-Imidazo[4,5-C][1,5]Naphthyridin-4-Amine Ethane-Sulfonate TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-14 US disclosed
US-20080207675-A1 Aqueous Gel Formulations Containing 1-(2-Methylpropyl)-1H-Imidazo[4,5-C][1,5]Naphthyridin-4-Amine TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080188513-A1 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Ethanesulfonate and 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Methanesulfonate TAKED PHARMACEUTICAL COMPANY LIMITED 2008-08-07 US disclosed
US-20080188513-A1 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Ethanesulfonate and 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Methanesulfonate TAKED PHARMACEUTICAL COMPANY LIMITED 2008-08-07 US disclosed
US-20080188513-A1 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Ethanesulfonate and 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Methanesulfonate TAKED PHARMACEUTICAL COMPANY LIMITED 2008-08-07 US disclosed
US-20080091010-A1 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-7335773-B2 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
US-6638944-B2 Have urea containing substituent at 1-position; induce biosynthesis of cytokines such as interferon and tumor necrosis factor, exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-10-28 US disclosed
US-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed
US-20030096998-A1 Imidazonaphtyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20030083500-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 US disclosed
US-6518280-B2 Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals 3M INNOVATIVE PROPERTIES COMPANY 2003-02-11 US disclosed
US-6514985-B1 Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-04 US disclosed
US-20020173653-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-20020173654-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-6194425-B1 VIRICIDES, ANTITUMOR AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-27 US 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 (8 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-20080091010-A1 Intermediates for imidazonaphthyridines IFNG, IRF3, MAVS TLR7 135/4885HTR2A 3969/4885HTR2B 4375/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885HTR2A 3705/4885HTR2B 4345/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 TLR7 96/4885HTR2A 3627/4885HTR2B 4240/4885
US-20080188513-A1 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Ethanesulfonate and 1-(2-Methylpropyl)-1H-Imidazo[4,5-C](1,5]Naphthyridin-4-Amine Methanesulfonate H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NDC1, CLIC1 TLR7 1147/4885HTR2A 272/4885HTR2B 168/4885
US-20090124652-A1 Polymorphs of 1-(2-Methylpropyl)-1H-Imidazo[4,5-C][1,5]Naphthyridin-4-Amine Ethane-Sulfonate CYP2S1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 TLR7 1854/4885HTR2A 339/4885HTR2B 227/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885HTR2A 3705/4885HTR2B 4345/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885HTR2A 3705/4885HTR2B 4345/4885
US-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS TLR7 116/4885HTR2A 4032/4885HTR2B 4462/4885

“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.