SCHEMBL2596107

SCHEMBL2596107

CC(C)S(=O)(=O)c1ccc2nccc(Nc3nn(C)c4ccccc34)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.54
RIPK1 Q13546 2/20 0.52
RIPK3 Q9Y572 2/20 0.52
MAPK14 Q16539 2/20 0.42
KDR P35968 2/20 0.42
RET P07949 2/20 0.42
PKMYT1 Q99640 1/20 0.42
KCNH2 Q12809 5/20 0.42
GAK O14976 2/20 0.39
TGFBR1 P36897 2/20 0.39
LCK P06239 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK9 P50750 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR4 P51679 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TGFBR2 P37173 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
SCHEMBL17059452 0.80 TGFBR1 (0.37) RIPK2KDRGAKTGFBR1KDM4E
SCHEMBL2595976 0.78 RIPK2 (0.77) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL600919 0.74 RIPK2 (0.74) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL2594980 0.71 RIPK2 (0.63) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL2595069 0.70 RIPK2 (1.00) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL600965 0.70 RIPK2 (0.65) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL2594972 0.69 RIPK2 (0.76) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL30358254 0.68 RIPK2 (1.00) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL2595306 0.68 RIPK2 (1.00) RIPK2RIPK1RIPK3MAPK14KDR
SCHEMBL29638044 0.68 RIPK2 (1.00) RIPK2RIPK1RIPK3MAPK14KDR

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 12 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-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 RIPK2 326/4885RIPK1 410/4885RIPK3 421/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885RIPK1 410/4885RIPK3 421/4885

“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.