SCHEMBL2458558

SCHEMBL2458558

c1cc(-c2ccc3cn[nH]c3c2)co1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.64
FGFR1 P11362 11/20 0.60
FGFR2 P21802 5/20 0.58
FGFR3 P22607 2/20 0.58
DYRK1A Q13627 4/20 0.49
MAPK1 P28482 2/20 0.49
DYRK3 O43781 2/20 0.49
CLK2 P49760 2/20 0.49
GSK3B P49841 2/20 0.49
CDK5 Q00535 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
PDPK1 O15530 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49

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
SCHEMBL2461478 0.87 GSK3B (0.60) NT5EFGFR1DYRK1ADYRK3CLK2
SCHEMBL2460037 0.77 FGFR1 (0.60) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL2460902 0.75 FGFR1 (1.00) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL13115655 0.74 FGFR1 (0.71) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL27839423 0.74 FGFR1 (0.71) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL14663812 0.74 FGFR1 (1.00) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL27976107 0.74 CLK1 (0.74) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL26260181 0.73 ERN1 (0.53) MAPK1CLK4ABL1MEN1KMT2A
SCHEMBL2461196 0.72 FGFR1 (0.64) FGFR1FGFR2FGFR3DYRK1AMAPK1
SCHEMBL2462362 0.72 BRD4 (0.45) NT5EMAPK1GSK3BKDM4EMEN1

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 5 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
US-7790722-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-09-07 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 WO disclosed
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 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 (2 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 NT5E 2542/4885FGFR1 11/4885FGFR2 15/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 NT5E 442/4885FGFR1 3173/4885FGFR2 4061/4885

“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.