SCHEMBL2596136

SCHEMBL2596136

COc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)ccc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 8/20 0.74
RIPK2 O43353 10/20 0.63
PDE4B Q07343 3/20 0.62
KDR P35968 2/20 0.60
TGFBR1 P36897 2/20 0.55
EGFR P00533 1/20 0.54
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53
COQ8A Q8NI60 6/20 0.52
NLK Q9UBE8 6/20 0.52
EPHB6 O15197 2/20 0.52
ABL1 P00519 2/20 0.52
RET P07949 1/20 0.52
MAPK14 Q16539 1/20 0.52
PKMYT1 Q99640 1/20 0.52
LCK P06239 1/20 0.52
EPHA1 P21709 1/20 0.52
EPHA8 P29322 1/20 0.52
TXK P42681 1/20 0.52
STK16 O75716 1/20 0.49

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
SCHEMBL2588265 0.88 GAK (0.76) GAKRIPK2PDE4BKDRTGFBR1
SCHEMBL12180661 0.87 GAK (0.74) GAKRIPK2PDE4BKDREGFR
SCHEMBL2592801 0.87 GAK (0.74) GAKRIPK2PDE4BKDRTGFBR1
SCHEMBL2594833 0.84 RIPK2 (0.65) GAKRIPK2PDE4BKDRTGFBR1
SCHEMBL2589187 0.83 RIPK2 (0.69) GAKRIPK2KDRTGFBR1RET
SCHEMBL2595969 0.82 RIPK2 (0.65) GAKRIPK2PDE4BKDRTGFBR1
SCHEMBL2596055 0.80 RIPK2 (0.69) GAKRIPK2KDRTGFBR1COQ8A
SCHEMBL2595652 0.80 GAK (0.67) GAKRIPK2KDRTGFBR1RAF1
SCHEMBL2589403 0.80 GAK (0.67) GAKRIPK2PDE4BKDRTGFBR1
SCHEMBL2595320 0.78 RIPK2 (0.68) GAKRIPK2KDRTGFBR1RAF1

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-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

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 326/4885PDE4B 748/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 GAK 162/4885RIPK2 326/4885PDE4B 748/4885

“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.