SCHEMBL2596095

SCHEMBL2596095

O=S(=O)(c1ccc2nccc(Nc3ccc4cn[nH]c4c3)c2c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.52
PTK6 Q13882 3/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 2/20 0.45
USP2 O75604 2/20 0.45
HSD17B10 Q99714 1/20 0.45
RIPK2 O43353 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4B Q07343 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CASP3 P42574 2/20 0.42

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
SCHEMBL2595282 0.82 CA9 (0.53) RIPK2RAF1BRAF
SCHEMBL2589414 0.82 RIPK2 (0.65) RIPK2RAF1BRAF
SCHEMBL2589201 0.80 RIPK2 (0.52) MAPTSMN1; SMN2RAB9ARIPK2RAF1
SCHEMBL2595045 0.79 RIPK1 (0.62) KDM4EMAPTNPC1RAB9AMAPK1
SCHEMBL2591560 0.79 RIPK2 (0.63) KDM4EMAPTNPC1RAB9AMAPK1
SCHEMBL2592695 0.79 ALDH1A1 (0.54) KDM4EMAPTRIPK2RAF1BRAF
SCHEMBL12180667 0.79 ERBB2 (0.50) ERBB2PTK6KDM4ELMNAMAPT
SCHEMBL2589413 0.78 RIPK2 (0.68) ERBB2PTK6NPC1RAB9ARIPK2
SCHEMBL2594916 0.78 RIPK2 (0.49) RIPK2L3MBTL1RAF1BRAF
SCHEMBL12180665 0.78 ERBB2 (0.55) ERBB2PTK6KDM4ELMNAMAPT

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 ERBB2 87/4885PTK6 270/4885KDM4E 586/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ERBB2 87/4885PTK6 270/4885KDM4E 586/4885

“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.