SCHEMBL602052

SCHEMBL602052

O=S(=O)(CC(F)(F)F)c1ccc2nccc(Cl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
RIPK2 O43353 5/20 0.36
KCNH2 Q12809 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
SCN9A Q15858 2/20 0.35
DYRK1B Q9Y463 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
NT5E P21589 1/20 0.33
NR4A2 P43354 1/20 0.33
CA9 Q16790 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 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
SCHEMBL2594512 0.82 CYP1A2 (0.40) RIPK2KCNH2DYRK1BPIK3CAALDH1A1
SCHEMBL14730870 0.81 DYRK1B (0.36) RIPK2KCNH2SLC22A12DYRK1BPIK3CA
SCHEMBL602056 0.81 RIPK2 (0.43) RIPK2KCNH2SLC22A12DYRK1BALDH1A1
SCHEMBL2594415 0.79 CYP2C9 (0.42) PNMTRIPK2KCNH2DYRK1BRET
SCHEMBL2589369 0.77 DYRK1B (0.40) RIPK2KCNH2SLC22A12SCN9ADYRK1B
SCHEMBL2595325 0.76 CA9 (0.50) NR4A2CA9
SCHEMBL30880575 0.76 RIPK2 (0.50) RIPK2KCNH2SLC22A12DYRK1BRET
SCHEMBL600488 0.76 RIPK2 (0.50) RIPK2KCNH2SLC22A12DYRK1BRET
SCHEMBL17552284 0.76 ALDH1A1 (0.39) RIPK2KCNH2DYRK1BALDH1A1KDM4E
SCHEMBL600962 0.75 RIPK1 (0.51) RIPK2KCNH2SLC22A12DYRK1BPIK3CA

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 9 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
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 PNMT 399/4885RIPK2 480/4885KCNH2 824/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 PNMT 399/4885RIPK2 480/4885KCNH2 824/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 PNMT 399/4885RIPK2 480/4885KCNH2 824/4885

“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.