SCHEMBL4163083

SCHEMBL4163083

CC(C)(C)OC(=O)n1ccc2ccc(-c3c[nH]c4ncccc34)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.47
DYRK1A Q13627 8/20 0.45
CDC7 O00311 6/20 0.45
CLK4 Q9HAZ1 5/20 0.43
ROCK2 O75116 4/20 0.43
PRKACA P17612 4/20 0.43
DYRK1B Q9Y463 4/20 0.43
CDK2 P24941 3/20 0.43
HIPK2 Q9H2X6 3/20 0.43
MAP4K4 O95819 3/20 0.43
CDK8 P49336 3/20 0.43
CLK2 P49760 2/20 0.43
CDK5 Q00535 2/20 0.43
PRKCQ Q04759 2/20 0.43
MELK Q14680 2/20 0.43
STK17A Q9UEE5 2/20 0.43
DAPK3 O43293 1/20 0.43
FLT1 P17948 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL15436334 0.74 NR1H2 (0.50) BRD4
SCHEMBL30285197 0.73 SLC6A3 (0.55) ROCK2CDK5GSK3BIRAK4
SCHEMBL20445006 0.73 CYP11B1 (0.39) MAPK14
SCHEMBL30285159 0.73 PIK3CD (0.42) DYRK1AROCK2CDK8LRRK2GSK3B
SCHEMBL859005 0.73 CAMKK2 (0.57) CAMKK2DYRK1ACDC7CLK4ROCK2
SCHEMBL5828628 0.72 PIM1 (0.48) CAMKK2CDK2CDK5CDK9BRD4
SCHEMBL858697 0.71 DYRK1A (0.53) CAMKK2DYRK1ACDC7CLK4ROCK2
SCHEMBL147532 0.70 ACLY (0.46) JAK3JAK2
SCHEMBL1814619 0.70 CDK2 (0.45) CAMKK2DYRK1ACDC7CLK4ROCK2
SCHEMBL18788892 0.70 GABRG2 (0.43) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 CAMKK2 157/4885DYRK1A 378/4885CDC7 634/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 CAMKK2 125/4885DYRK1A 360/4885CDC7 643/4885

“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.