SCHEMBL2589413

SCHEMBL2589413

O=S(=O)(c1ccc2nccc(Nc3ccc4scnc4c3)c2c1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.68
KDR P35968 2/20 0.68
RIPK1 Q13546 3/20 0.65
RIPK3 Q9Y572 3/20 0.65
IKBKB O14920 4/20 0.57
CHUK O15111 2/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CHRM5 P08912 5/20 0.50
ERBB2 P04626 3/20 0.49
BRAF P15056 1/20 0.49
PDGFRA P16234 1/20 0.49
ACVR1B P36896 1/20 0.49
PIK3CA P42336 1/20 0.49
PTK6 Q13882 2/20 0.47
EGFR P00533 1/20 0.47
TGFBR1 P36897 1/20 0.47
CHRM1 P11229 1/20 0.46

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
Hydrochloric Acid SCHEMBL14718278 0.99 RIPK2 (0.67) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2589399 0.92 RIPK2 (0.71) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2595945 0.91 RIPK2 (0.70) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2595108 0.90 RIPK2 (0.69) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2595087 0.89 RIPK2 (0.68) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2595380 0.89 RIPK2 (0.71) RIPK2KDRRIPK1RIPK3IKBKB
Hydrochloric Acid SCHEMBL14718163 0.88 RIPK2 (0.67) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL12180679 0.88 RIPK2 (0.67) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL14718302 0.87 RIPK2 (0.66) RIPK2KDRRIPK1RIPK3IKBKB
SCHEMBL2596180 0.87 RIPK2 (0.63) RIPK2KDRRIPK1RIPK3IKBKB

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 13 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
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 326/4885KDR 404/4885RIPK1 410/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885KDR 404/4885RIPK1 410/4885

“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.