SCHEMBL2594982

SCHEMBL2594982

CS(=O)(=O)c1ccc2nccc(Nc3cc(O)c(F)cc3Cl)c2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.60
RET P07949 3/20 0.60
KDR P35968 2/20 0.60
MAPK14 Q16539 1/20 0.60
PKMYT1 Q99640 1/20 0.60
GAK O14976 1/20 0.51
KCNH2 Q12809 3/20 0.46
TGFBR1 P36897 1/20 0.46
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
PDE4B Q07343 1/20 0.45
RAF1 P04049 3/20 0.44
BRAF P15056 3/20 0.44
CA9 Q16790 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL2595819 0.90 RIPK2 (0.64) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2596085 0.83 RIPK2 (0.77) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2595188 0.83 RIPK2 (0.73) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2594833 0.82 RIPK2 (0.65) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2595969 0.82 RIPK2 (0.65) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2594948 0.81 RIPK2 (0.66) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2592798 0.81 RIPK2 (0.64) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2588260 0.81 RIPK2 (0.77) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2588825 0.81 RIPK2 (0.64) RIPK2RETKDRMAPK14PKMYT1
SCHEMBL2595674 0.81 RIPK2 (0.73) RIPK2RETKDRMAPK14PKMYT1

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 15 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
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP claimed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US claimed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO claimed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US claimed
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
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 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 (4 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA RIPK2 184/4885RET 1/4885KDR 350/4885
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885RET 193/4885KDR 404/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885RET 193/4885KDR 404/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA RIPK2 184/4885RET 1/4885KDR 350/4885

“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.