SCHEMBL2458435

SCHEMBL2458435

c1cc2cc(-c3cn[nH]c3)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.56
CDK9 P50750 1/20 0.54
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
CLK2 P49760 4/20 0.47
HIPK1 Q86Z02 4/20 0.47
HIPK2 Q9H2X6 4/20 0.47
HIPK3 Q9H422 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
DYRK2 Q92630 3/20 0.47
CLK1 P49759 1/20 0.47
CA2 P00918 6/20 0.47
CA12 O43570 4/20 0.47
KMO O15229 1/20 0.44
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 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
SCHEMBL2459814 0.87 AKT2 (0.47) DYRK1ACDK9AKT1AKT2CLK2
SCHEMBL21359203 0.77 MIF (0.48) CLK2HIPK1HIPK2HIPK3CLK4
SCHEMBL2458123 0.77 CLK2 (0.44) DYRK1AAKT1AKT2CLK2HIPK1
SCHEMBL30423371 0.76 AKT2 (0.54) DYRK1AAKT1AKT2CLK2HIPK1
SCHEMBL17226522 0.75 DYRK1A (0.54) DYRK1AAKT1AKT2CLK2HIPK1
SCHEMBL2462244 0.72 DYRK1A (0.54) DYRK1ACDK9CA2CA12KMO
SCHEMBL1602484 0.72 DYRK1A (0.69) DYRK1ACDK9CA2CA12KMO
SCHEMBL2465313 0.72 DYRK1A (0.54) DYRK1AAKT1AKT2CLK2HIPK1
SCHEMBL30424015 0.72 AKT2 (0.71) DYRK1AAKT1AKT2CLK2HIPK1
SCHEMBL6829643 0.72 DYRK1A (1.00) DYRK1ACDK9CA2CA12KMO

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 DYRK1A 4134/4885CDK9 3284/4885AKT1 248/4885

“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.