SCHEMBL2592695

SCHEMBL2592695

CN(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4cn[nH]c4c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
RIPK2 O43353 8/20 0.51
RAF1 P04049 3/20 0.50
BRAF P15056 3/20 0.50
KDR P35968 2/20 0.46
KCNH2 Q12809 4/20 0.45
RIPK1 Q13546 2/20 0.45
RIPK3 Q9Y572 1/20 0.44
GAK O14976 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EIF2AK2 P19525 1/20 0.41
RET P07949 1/20 0.40

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
SCHEMBL2589414 0.89 RIPK2 (0.65) ALDH1A1RIPK2RAF1BRAFKDR
SCHEMBL2596147 0.88 RIPK2 (0.46) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL2589201 0.87 RIPK2 (0.52) ALDH1A1MAPTHTTRIPK2RAF1
SCHEMBL2595282 0.87 CA9 (0.53) ALDH1A1RIPK2RAF1BRAFKDR
SCHEMBL2595045 0.86 RIPK1 (0.62) ALDH1A1KDM4EMAPTHTTRIPK2
SCHEMBL2591560 0.86 RIPK2 (0.63) ALDH1A1KDM4EMAPTHTTRIPK2
SCHEMBL2594916 0.84 RIPK2 (0.49) ALDH1A1RIPK2RAF1BRAFKDR
SCHEMBL2595304 0.82 RIPK2 (0.51) ALDH1A1RIPK2RAF1BRAFKDR
SCHEMBL2596169 0.81 RIPK2 (0.49) RIPK2RAF1BRAFKDRKCNH2
SCHEMBL2596095 0.79 ERBB2 (0.52) KDM4EMAPTRIPK2RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP claimed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US claimed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 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-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885KDM4E 586/4885GAA 3654/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885KDM4E 586/4885GAA 3654/4885

“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.