SCHEMBL212305

SCHEMBL212305

CS(=O)(=O)c1nc2c(N)nc3ccccc3c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CSNK2A1 P68400 1/20 0.42
TLR7 Q9NYK1 7/20 0.41
TLR8 Q9NR97 5/20 0.41
QTRT1 Q9BXR0 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
DCPS Q96C86 1/20 0.37
ELANE P08246 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
SCHEMBL5073662 0.78 DHFR (0.38) ALDH1A1HPGDCSNK2A1TLR7TLR8
SCHEMBL5335436 0.77 TLR7 (0.50) ALDH1A1HPGDTLR7TLR8QTRT1
SCHEMBL787142 0.77 QTRT1 (0.51) ALDH1A1HPGDTLR7TLR8QTRT1
SCHEMBL6809083 0.75 PARP1 (0.41) TLR7TLR8
SCHEMBL212367 0.75 ADORA2A (0.45) TLR7TLR8QTRT1ADORA3ADORA2A
SCHEMBL8600371 0.74 TNKS2 (0.53) ALDH1A1TLR7TLR8ADORA3ADORA2A
SCHEMBL202971 0.74 ALDH1A1 (0.41) ALDH1A1HPGDCSNK2A1PTGS1PTGS2
SCHEMBL9036182 0.71 TLR7 (0.52) ALDH1A1HPGDTLR7TLR8ADORA3
SCHEMBL212373 0.71 TLR8 (0.46) TLR7TLR8ADORA2AELANE
SCHEMBL28350684 0.71 HPGD (0.41) ALDH1A1HPGDCSNK2A1PTGS1PTGS2

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 5 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

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 ALDH1A1 517/4885HPGD 123/4885CSNK2A1 1472/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 ALDH1A1 517/4885HPGD 123/4885CSNK2A1 1472/4885

“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.