SCHEMBL10106405

SCHEMBL10106405

Cc1[nH]nc(Nc2ccnc3ccc([S@+]([O-])C4CCOCC4)cc23)c1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 16/20 0.52
KCNH2 Q12809 7/20 0.52
ROCK1 Q13464 1/20 0.44
LRRK2 Q5S007 2/20 0.38
MAPK14 Q16539 2/20 0.35
GAK O14976 1/20 0.35
LCK P06239 1/20 0.35
TGFBR1 P36897 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
MAPKAPK2 P49137 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
PKMYT1 Q99640 1/20 0.32

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
SCHEMBL10106406 1.00 RIPK2 (0.52) RIPK2KCNH2ROCK1LRRK2MAPK14
SCHEMBL600385 0.86 RIPK2 (0.37) RIPK2KCNH2LRRK2MAPK14GAK
SCHEMBL600967 0.86 RIPK2 (0.37) RIPK2KCNH2LRRK2MAPK14GAK
SCHEMBL600708 0.86 RIPK2 (0.37) RIPK2KCNH2LRRK2MAPK14GAK
SCHEMBL12496271 0.84 RIPK2 (0.55) RIPK2KCNH2ROCK1LRRK2GAK
SCHEMBL600928 0.79 RIPK2 (0.65) RIPK2KCNH2ROCK1LRRK2MAPK14
SCHEMBL599380 0.79 RIPK2 (0.64) RIPK2KCNH2ROCK1MAPK14GAK
SCHEMBL599381 0.79 RIPK2 (0.64) RIPK2KCNH2ROCK1MAPK14GAK
SCHEMBL600773 0.79 RIPK2 (0.64) RIPK2KCNH2ROCK1MAPK14GAK
SCHEMBL600481 0.76 RIPK2 (0.63) RIPK2KCNH2ROCK1MAPK14GAK

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 8 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
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
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US 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 824/4885ROCK1 339/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 RIPK2 480/4885KCNH2 824/4885ROCK1 339/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 RIPK2 480/4885KCNH2 824/4885ROCK1 339/4885

“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.