SCHEMBL4247880

SCHEMBL4247880

CCc1nc2c[n+]([O-])c3cc(OCCNC(=O)OC(C)(C)C)ccc3c2n1CC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
BRD4 O60885 1/20 0.38
CNR2 P34972 9/20 0.37
CNR1 P21554 3/20 0.36
DYRK1A Q13627 1/20 0.36
ATR Q13535 3/20 0.36
F2R P25116 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL4244623 0.91 CNR2 (0.39) CNR2CNR1
SCHEMBL4244613 0.91 CNR2 (0.39) CNR2CNR1
SCHEMBL5617704 0.86 BRD4 (0.40) CA12CA1CA2CA9BRD4
SCHEMBL4565531 0.81 TLR7 (0.47) BRD4
SCHEMBL4252899 0.78 TLR7 (0.42) CA12CA1CA2CA9BRD4
SCHEMBL4246941 0.78 DYRK1A (0.43) CA12CA1CA2CA9BRD4
SCHEMBL4543905 0.76 BRD4 (0.43) BRD4CNR2CNR1
SCHEMBL4247825 0.74 TLR7 (0.41) CA12CA1CA2CA9BRD4
SCHEMBL5106169 0.73 TLR7 (0.40) CNR2
SCHEMBL5087226 0.72 CA1 (0.44) CA12CA1CA2CA9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CA12 4453/4885CA1 4045/4885CA2 4015/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 CA12 4453/4885CA1 4045/4885CA2 4015/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CA12 4453/4885CA1 4045/4885CA2 4015/4885

“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.