SCHEMBL202971

SCHEMBL202971

CS(=O)(=O)c1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 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
SCHEMBL204605 0.79 CSNK2A1 (0.39) ALDH1A1HPGDKDM4EL3MBTL1CSNK2A1
SCHEMBL311958 0.76 PARP1 (0.51) ALDH1A1HPGDKDM4EGPR3TOP2A
SCHEMBL14643938 0.75 GAA (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28620422 0.72 HPGD (0.48) ALDH1A1HPGDKDM4EPTGS1PTGS2
SCHEMBL5137072 0.72 KDM4E (0.46) ALDH1A1HPGDKDM4EGPR3GABRA1
SCHEMBL311168 0.72 KDM4E (0.46) ALDH1A1HPGDKDM4EGPR3GABRA1
SCHEMBL842044 0.72 QTRT1 (0.51) ALDH1A1HPGDKDM4EGPR3GABRA1
SCHEMBL2088588 0.72 ERN1 (0.45) KDM4EGPR3GABRA1GABRG2GABRB3
SCHEMBL203874 0.72 MAPK14 (0.42) ALDH1A1HPGDKDM4EGPR3L3MBTL1
SCHEMBL31314987 0.72 L3MBTL1 (0.68) ALDH1A1HPGDKDM4EL3MBTL1

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 8 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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 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
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 ALDH1A1 517/4885HPGD 123/4885KDM4E 2017/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 ALDH1A1 979/4885HPGD 235/4885KDM4E 2419/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 ALDH1A1 517/4885HPGD 123/4885KDM4E 2017/4885

“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.