SCHEMBL212874

SCHEMBL212874

CSc1nc2cnc3ccccc3c2n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
BRAF P15056 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
TLR7 Q9NYK1 3/20 0.45
DHFR P00374 4/20 0.43
MAPT P10636 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL4383637 0.84 POLB (0.45) POLBBRAFHTTTSHRDHFR
SCHEMBL9602708 0.82 TLR7 (0.61) TLR7PIK3CDPIK3CAMTORALDH1A1
Water SCHEMBL9603053 0.81 TLR7 (0.60) TLR7PIK3CDPIK3CAMTORALDH1A1
Hydrochloric Acid SCHEMBL10427771 0.81 ALDH1A1 (0.43) POLBHTTTSHRTLR7MAPT
SCHEMBL213111 0.80 TLR7 (0.45) POLBTLR7PIK3CDPIK3CAMTOR
SCHEMBL787541 0.80 TLR7 (0.45) POLBTLR7PIK3CDPIK3CAMTOR
SCHEMBL13968055 0.80 TLR7 (0.55) TLR7
SCHEMBL5025892 0.78 LMNA (0.66) POLBDHFRL3MBTL1ALDH1A1LMNA
SCHEMBL6722351 0.77 POLB (0.48) POLBTLR7LMNAKMT2A
SCHEMBL6722233 0.77 TSHR (0.51) POLBTSHRTLR7MAPTL3MBTL1

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 1616/4885BRAF 2098/4885HTT 1201/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 POLB 1616/4885BRAF 2098/4885HTT 1201/4885

“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.