SCHEMBL842044

SCHEMBL842044

Nc1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 1/20 0.51
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
AOC3 Q16853 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GPR3 P46089 1/20 0.46
TYMS P04818 4/20 0.41
TOP2A P11388 1/20 0.41
PI4KB Q9UBF8 2/20 0.40
NCF1 P14598 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39

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
SCHEMBL311168 0.79 KDM4E (0.46) ALDH1A1KDM4EGPR3TOP2AHPGD
SCHEMBL311958 0.79 PARP1 (0.51) ALDH1A1KDM4EGPR3TYMSTOP2A
SCHEMBL5137072 0.79 KDM4E (0.46) ALDH1A1KDM4EGPR3TOP2AHPGD
SCHEMBL5341134 0.78 LOXL2 (0.42) KMT2AKDM4EGPR3TOP2API4KB
SCHEMBL10771264 0.78 TNKS (0.58) ALDH1A1KMT2AMEN1KDM4ETOP2A
SCHEMBL1486423 0.77 KDM4E (0.44) ALDH1A1KDM4EGPR3TOP2API4KB
SCHEMBL1490778 0.76 NUDT1 (0.42) QTRT1ALDH1A1KMT2AMASP2MEN1
SCHEMBL1423662 0.76 TNKS (0.56) ALDH1A1TOP2AHPGDHSD17B10RAB9A
SCHEMBL9378888 0.76 TOP2A (0.42) ALDH1A1KDM4EGPR3TOP2AHPGD
SCHEMBL2088588 0.75 ERN1 (0.45) KMT2AKDM4EGPR3TOP2ATDP1

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-2699573-A2 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES Glaxosmithkline LLC (US) 2014-02-26 EP claimed
WO-2012143416-A2 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO claimed
US-6610319-B2 Administering imiquimod 3M INNOVATIVE PROPERTIES COMPANY 2003-08-26 US claimed
EP-2830629-A1 COMPOSITIONS AND METHODS FOR REACTIVATING LATENT IMMUNODEFICIENCY VIRUS Icahn School of Medicine Mount Sinai (US) 2015-02-04 EP disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-8673932-B2 Oxime substituted imidazo-containing compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
EP-2699573-A2 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
WO-2013148197-A1 COMPOSITIONS AND METHODS FOR REACTIVATING LATENT IMMUNODEFICIENCY VIRUS THE J. DAVID GLADSTONE INSTITUTES (US) 2013-10-03 WO disclosed
WO-2012143416-A2 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
US-6780873-B2 FOR INDUCING CYTOKINE BIOSYNTHESIS IN ANIMALS, AND IN THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-24 US disclosed
EP-0912565-B1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING & MFG (US) 2004-04-14 EP disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
EP-0802913-B1 IMIDAZO [4,5-c]QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2000-04-26 EP disclosed
EP-0802913-A1 IMIDAZO 4,5-c]QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-29 EP disclosed
WO-1996021663-A1 IMIDAZO[4,5-c]QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-18 WO disclosed
US-5482936-A INDUCE INTERFERON BIOSYNTHESIS IN AN ANIMAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 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 (1 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-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 QTRT1 2548/4885ALDH1A1 918/4885KMT2A 2789/4885

“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.