SCHEMBL2458508

SCHEMBL2458508

c1cc(-c2ccc3[nH]ncc3c2)ns1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.58
ROCK2 O75116 9/20 0.58
PIM1 P11309 8/20 0.58
AURKB Q96GD4 8/20 0.58
KDR P35968 3/20 0.58
JAK2 O60674 2/20 0.58
PAK4 O96013 1/20 0.58
CLK2 P49760 6/20 0.54
DYRK1A Q13627 6/20 0.54
CLK4 Q9HAZ1 6/20 0.54
CDK5 Q00535 4/20 0.54
DYRK3 O43781 3/20 0.54
CLK1 P49759 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
CLK3 P49761 1/20 0.54
CDK5R1 Q15078 1/20 0.54
DYRK2 Q92630 1/20 0.54
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
ROCK1 Q13464 6/20 0.48

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
SCHEMBL2462853 0.87 FGFR1 (0.54) GSK3BROCK2PIM1AURKBKDR
SCHEMBL2461778 0.79 GSK3B (0.59) GSK3BROCK2PIM1AURKBKDR
SCHEMBL2457599 0.77 NPC1 (0.51) DYRK1ACDK5DYRK3DYRK1BCDK5R1
SCHEMBL2460992 0.75 CLK1 (0.63) GSK3BROCK2PIM1AURKBKDR
SCHEMBL3668053 0.73 ROCK2 (1.00) GSK3BROCK2PIM1AURKBKDR
SCHEMBL2463725 0.73 GSK3B (0.53) GSK3BROCK2PIM1AURKBKDR
SCHEMBL31289315 0.73 GSK3B (0.56) GSK3BROCK2PIM1AURKBKDR
SCHEMBL2457760 0.73 GSK3B (0.66) GSK3BROCK2PIM1AURKBKDR
SCHEMBL2459081 0.72 CLK1 (0.63) GSK3BROCK2PIM1AURKBKDR
SCHEMBL3670306 0.72 ROCK2 (1.00) GSK3BROCK2PIM1AURKBKDR

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 817/4885ROCK2 1181/4885PIM1 1476/4885

“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.