SCHEMBL212644

SCHEMBL212644

CC(C)(C)OC(=O)NCc1cccc(CNc2c(N)c(Cl)nc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ACACB O00763 4/20 0.46
ACACA Q13085 3/20 0.46
BRD4 O60885 1/20 0.45
GLS O94925 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
APP P05067 2/20 0.43
GRM2 Q14416 1/20 0.42
HCRTR1 O43613 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL29381485 0.93 KMT2A (0.50) KMT2AMEN1NPC1GAARAB9A
SCHEMBL21013099 0.93 KMT2A (0.50) KMT2AMEN1NPC1GAARAB9A
SCHEMBL5073659 0.86 APP (0.48) KMT2AMEN1NPC1GAACYP1A2
SCHEMBL841971 0.85 BCHE (0.53) KMT2AMEN1NPC1GAARAB9A
SCHEMBL212372 0.85 EGFR (0.48) KMT2AMEN1NPC1GAARAB9A
SCHEMBL8132565 0.84 MEN1 (0.49) KMT2AMEN1NPC1GAARAB9A
SCHEMBL841682 0.84 MEN1 (0.49) KMT2AMEN1NPC1GAARAB9A
SCHEMBL24732593 0.83 ACHE (0.45) GLS
SCHEMBL30947352 0.83 APP (0.47) KMT2AAPPPOLBRAD52PDE5A
SCHEMBL31709821 0.82 GRM2 (0.44) KMT2AMEN1NPC1GAARAB9A

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 7 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-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-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

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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KMT2A 2108/4885MEN1 3863/4885NPC1 2633/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KMT2A 2108/4885MEN1 3863/4885NPC1 2633/4885

“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.