SCHEMBL3607907

SCHEMBL3607907

CON(C)C(=O)c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.56
DYRK1A Q13627 6/20 0.56
DYRK1B Q9Y463 2/20 0.56
CHRNA7 P36544 1/20 0.45
MLYCD O95822 1/20 0.44
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
CLK2 P49760 2/20 0.40
HDAC1 Q13547 2/20 0.39
LMNA P02545 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PPARA Q07869 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL159986 0.82 CLK1 (0.60) CLK1DYRK1ADYRK1BCHRNA7ICAM1
SCHEMBL4654119 0.81 HDAC1 (0.52) CLK1DYRK1ACHRNA7HDAC1CSNK1D
SCHEMBL10238997 0.81 CLK1 (0.62) CLK1DYRK1ADYRK1BCHRNA7ICAM1
SCHEMBL23480415 0.80 CLK1 (0.60) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL23480249 0.80 CLK1 (0.60) CLK1DYRK1ADYRK1BCHRNA7ICAM1
SCHEMBL10238986 0.80 CLK1 (0.82) CLK1DYRK1ADYRK1BCHRNA7CLK2
SCHEMBL11888470 0.77 CLK1 (0.69) CLK1DYRK1ADYRK1BCLK2HDAC1
SCHEMBL23480396 0.77 CLK1 (0.58) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL23480186 0.77 CLK1 (0.58) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL120469 0.77 BCL2L1 (0.54) DYRK1ACHRNA7HDAC1PPARAHDAC3

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-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 CLK1 413/4885DYRK1A 370/4885DYRK1B 379/4885
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 CLK1 4746/4885DYRK1A 4470/4885DYRK1B 4397/4885

“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.