SCHEMBL212307

SCHEMBL212307

O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.60
KMT2A Q03164 6/20 0.57
POLB P06746 3/20 0.57
RAD52 P43351 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 5/20 0.52
PKM P14618 1/20 0.51
MAPT P10636 4/20 0.49
PDE5A O76074 2/20 0.48
APP P05067 1/20 0.48
ACHE P22303 2/20 0.47
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8122688 0.94 EGFR (0.56) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL5075541 0.91 EGFR (0.56) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL5075536 0.91 EGFR (0.56) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL212491 0.91 KMT2A (0.59) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL28802645 0.89 EGFR (0.49) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL210947 0.89 EGFR (0.78) EGFRKMT2APOLBALDH1A1HPGD
SCHEMBL211900 0.88 EGFR (0.48) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL211899 0.88 EGFR (0.48) EGFRKMT2APOLBRAD52ALDH1A1
SCHEMBL3961147 0.87 MAPT (0.57) EGFRKMT2APOLBALDH1A1HPGD
SCHEMBL24732868 0.87 EGFR (0.53) EGFRKMT2APOLBRAD52ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 CN disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 WO disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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 (3 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885KMT2A 2108/4885POLB 1616/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 EGFR 3500/4885KMT2A 1860/4885POLB 3413/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 EGFR 3299/4885KMT2A 2108/4885POLB 1616/4885

“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.