SCHEMBL211777

SCHEMBL211777

COc1nc2c(Cl)nc3ccccc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
PARP1 P09874 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
TNKS O95271 1/20 0.37
GUSB P08236 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NR1I3 Q14994 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL212220 0.84 ELANE (0.43) POLBDYRK1ANPC1GUSBRAB9A
SCHEMBL212367 0.83 ADORA2A (0.45) POLBCDK9DYRK1AADORA3ADORA1
SCHEMBL841735 0.76 QTRT1 (0.49) POLBCDK9DYRK1AMAOAMAOB
SCHEMBL215079 0.76 MAOA (0.41) POLBCDK9DYRK1APARP1TNKS2
SCHEMBL1423886 0.75 TNKS (0.50) POLBDYRK1APARP1TNKS2NPC1
SCHEMBL1423937 0.71 ADORA3 (0.61) ADORA3ADORA1
SCHEMBL1423691 0.71 ADORA3 (0.58) ADORA3ADORA1
SCHEMBL1423694 0.71 PTGES (0.41) POLBCDK9DYRK1ATNKS2MAOA
SCHEMBL1424053 0.71 PARP1 (0.52) POLBPARP1SMN1; SMN2LMNAKDM4E
SCHEMBL1423883 0.70 ADORA3 (0.60) ADORA3ADORA1

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 POLB 1616/4885CDK9 3034/4885DYRK1A 4552/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 POLB 1616/4885CDK9 3034/4885DYRK1A 4552/4885

“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.