SCHEMBL600531

SCHEMBL600531

[2H]c1cnc2ccc(S(=O)(=O)C(C)(C)C)cc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 8/20 0.53
KCNH2 Q12809 6/20 0.53
GAK O14976 2/20 0.43
MAPK14 Q16539 2/20 0.43
LCK P06239 1/20 0.43
TGFBR1 P36897 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
ALDH1A1 P00352 2/20 0.37
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
PKMYT1 Q99640 1/20 0.33
PAX8 Q06710 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CNR2 P34972 2/20 0.32
COMT P21964 1/20 0.32
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
CLK1 P49759 1/20 0.31

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
SCHEMBL600081 0.88 RIPK2 (0.58) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL10106290 0.85 GAK (0.46) RIPK2KCNH2GAKMAPK14RET
SCHEMBL10119049 0.78 RIPK2 (0.57) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL10106392 0.75 RIPK2 (0.67) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL25511723 0.75 RIPK2 (0.49) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL17059454 0.74 RIPK2 (0.54) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL602056 0.74 RIPK2 (0.43) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL600987 0.73 RIPK2 (0.46) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL2594398 0.72 RIPK2 (0.59) RIPK2KCNH2GAKMAPK14LCK
SCHEMBL30880575 0.71 RIPK2 (0.50) RIPK2KCNH2GAKMAPK14RET

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US disclosed
EP-2603218-A1 QUINOLYL AMINES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-06-19 EP disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 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 (3 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-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 RIPK2 480/4885KCNH2 824/4885GAK 249/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 RIPK2 480/4885KCNH2 824/4885GAK 249/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 RIPK2 480/4885KCNH2 824/4885GAK 249/4885

“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.