SCHEMBL2459978

SCHEMBL2459978

c1cc2[nH]ncc2cc1-c1cnoc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.60
CLK1 P49759 2/20 0.60
CLK2 P49760 2/20 0.60
CDK5 Q00535 2/20 0.60
DYRK1A Q13627 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
DYRK1B Q9Y463 2/20 0.60
DYRK3 O43781 1/20 0.60
CLK3 P49761 1/20 0.60
CDK5R1 Q15078 1/20 0.60
DYRK2 Q92630 1/20 0.60
ROCK2 O75116 4/20 0.51
PIM1 P11309 4/20 0.51
AURKB Q96GD4 4/20 0.51
JAK2 O60674 2/20 0.51
KDR P35968 2/20 0.51
PAK4 O96013 1/20 0.51
TRPA1 O75762 9/20 0.49
NOS1 P29475 3/20 0.47
ROCK1 Q13464 2/20 0.47

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
SCHEMBL2460037 0.87 FGFR1 (0.60) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL2461478 0.77 GSK3B (0.60) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL2463728 0.77 NPC1 (0.54) CLK1DYRK1ADYRK1BDYRK2LRRK2
SCHEMBL2455100 0.75 GSK3B (1.00) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16740690 0.74 NOS1 (0.72) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL16573980 0.74 GSK3B (0.71) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL27663173 0.74 FGFR1 (0.74) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL4791316 0.74 CLK1 (1.00) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL2457760 0.74 GSK3B (0.66) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL27537145 0.72 GSK3B (0.64) GSK3BCLK1CLK2CDK5DYRK1A

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 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 (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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET GSK3B 817/4885CLK1 3871/4885CLK2 3759/4885

“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.