SCHEMBL2594512

SCHEMBL2594512

CCS(=O)(=O)c1ccc2nccc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
RIPK2 O43353 3/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DYRK1B Q9Y463 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
PKMYT1 Q99640 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAK O14976 1/20 0.36
PIK3CA P42336 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2594415 0.90 CYP2C9 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14730870 0.86 DYRK1B (0.36) CYP1A2CYP3A4CYP2C9CYP2C19RIPK2
SCHEMBL600488 0.84 RIPK2 (0.50) RIPK2KCNH2DYRK1BRETKDR
SCHEMBL30880575 0.84 RIPK2 (0.50) RIPK2KCNH2DYRK1BRETKDR
SCHEMBL602052 0.82 PNMT (0.36) RIPK2KCNH2DYRK1BRETKDR
SCHEMBL2589369 0.82 DYRK1B (0.40) CYP1A2CYP2C9CYP2C19RIPK2KCNH2
SCHEMBL2595670 0.81 RIPK2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4005800 0.81 RIPK2 (0.42) RIPK2KCNH2DYRK1BRETKDR
SCHEMBL17552284 0.81 ALDH1A1 (0.39) CYP2C9CYP2C19RIPK2KCNH2DYRK1B
SCHEMBL2595325 0.81 CA9 (0.50)

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 14 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-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
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US 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
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 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 (5 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 CYP1A2 2477/4885CYP3A4 2232/4885CYP2C9 2782/4885
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 CYP1A2 2644/4885CYP3A4 3225/4885CYP2C9 4391/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 CYP1A2 2477/4885CYP3A4 2232/4885CYP2C9 2782/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 CYP1A2 2477/4885CYP3A4 2232/4885CYP2C9 2782/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 CYP1A2 2644/4885CYP3A4 3225/4885CYP2C9 4391/4885

“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.