SCHEMBL2458438

SCHEMBL2458438

c1cc(-c2ccc3ncoc3c2)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.55
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
GSK3B P49841 2/20 0.33
WNT1 P04628 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDE4A P27815 2/20 0.33

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
SCHEMBL2457425 0.87 DYRK1A (0.55) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL24425916 0.84 DYRK1A (0.72) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL2461206 0.75 DYRK1A (0.54) DYRK1APIK3CAMTORKLK3CLK1
SCHEMBL29689417 0.75 DYRK1A (0.62) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL28172473 0.74 DYRK1A (0.60) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL24156066 0.74 DYRK1A (0.60) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL2458588 0.73 CHEK1 (0.32) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL27285079 0.72 DYRK1A (0.58) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL2461972 0.72 DYRK1A (0.50) DYRK1APIK3CAMTORNPC1RAB9A
SCHEMBL2457785 0.72 DYRK1A (0.50) DYRK1APIK3CAMTORNPC1RAB9A

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 4134/4885PIK3CA 3035/4885MTOR 657/4885

“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.