SCHEMBL2594936

SCHEMBL2594936

CS(=O)(=O)c1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.47
RIPK2 O43353 7/20 0.43
KDR P35968 2/20 0.43
RET P07949 1/20 0.43
MAPK14 Q16539 1/20 0.43
PKMYT1 Q99640 1/20 0.43
SLC22A12 Q96S37 1/20 0.37
KCNH2 Q12809 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
PDE4B Q07343 3/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SYK P43405 2/20 0.35
RXRA P19793 1/20 0.35
TOP2B Q02880 1/20 0.34

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
SCHEMBL12367211 0.84 HTR1A (0.41) SLC22A12KCNH2SMN1; SMN2
SCHEMBL591544 0.82 IDO1 (0.45) GAKSLC22A12
SCHEMBL26317970 0.82 GAK (0.64) GAKRIPK2KDRRETMAPK14
SCHEMBL632944 0.82 LMNA (0.52) GAKRIPK2SLC22A12SMN1; SMN2
SCHEMBL3851998 0.81 SLC22A12 (0.56) GAKRIPK2SLC22A12
SCHEMBL26632797 0.81 NR4A2 (0.45) GAKRIPK2SLC22A12SMN1; SMN2
SCHEMBL22492353 0.81 GAK (0.44) GAKRIPK2KDRMAPK14SLC22A12
SCHEMBL31219975 0.80 FYN (0.40) GAKRIPK2KDRMAPK14SYK
SCHEMBL14999154 0.80 SRC (0.39) SLC22A12SMN1; SMN2
SCHEMBL4853499 0.80 SLC2A1 (0.42) SLC22A12SMN1; SMN2

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
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

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 GAK 162/4885RIPK2 326/4885KDR 404/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 GAK 162/4885RIPK2 326/4885KDR 404/4885

“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.