SCHEMBL15980666

SCHEMBL15980666

Cc1nc(C(C)C)ccc1-c1cccc2c1CNC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.44
CLK4 Q9HAZ1 5/20 0.44
PIM1 P11309 4/20 0.44
DYRK1A Q13627 3/20 0.44
CDK5 Q00535 2/20 0.44
CSNK1A1 P48729 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
LTK P29376 1/20 0.43
MST1R Q04912 1/20 0.43
KDR P35968 13/20 0.42
ROCK2 O75116 5/20 0.42
TAOK1 Q7L7X3 5/20 0.42
HIPK4 Q8NE63 5/20 0.42
AURKB Q96GD4 5/20 0.42
RPS6KB1 P23443 4/20 0.42
PLK4 O00444 4/20 0.42
FLT4 P35916 4/20 0.42
FLT3 P36888 4/20 0.42
MAP4K4 O95819 4/20 0.42

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
SCHEMBL15984818 0.83 ROCK1 (0.49) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL30190467 0.77 CLK4 (0.51) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL15980671 0.75 GSK3B (0.51) ROCK1CLK4PIM1DYRK1BFLT3
SCHEMBL28860690 0.74 CLK4 (0.51) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL15980672 0.74 CLK4 (0.51) ROCK1CLK4PIM1LRRK2DYRK1B
SCHEMBL25737805 0.73 MKNK2 (0.42) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL16135656 0.72 KDR (0.40) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL30775244 0.71 PARP10 (0.57) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL9910069 0.71 CLK4 (0.56) ROCK1CLK4PIM1DYRK1ACDK5
SCHEMBL28860691 0.70 KDR (0.54) ROCK1CLK4PIM1DYRK1ACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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 (1 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK ROCK1 545/4885CLK4 1101/4885PIM1 256/4885

“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.