SCHEMBL1863222

SCHEMBL1863222

CC(C)(C)OC(=O)Nc1cccc(Cn2ccc(N)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
TLR7 Q9NYK1 1/20 0.48
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
NPY1R P25929 1/20 0.44
SCD O00767 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
BRD4 O60885 2/20 0.41
CYP17A1 P05093 1/20 0.41
MET P08581 1/20 0.40
HDAC3 O15379 3/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL2643964 0.83 MEN1 (0.65) ALDH1A1TDP1L3MBTL1MEN1TSHR
SCHEMBL13011396 0.83 MEN1 (0.43) TLR7MEN1TSHRKMT2AAURKA
SCHEMBL1870854 0.83 SMN1; SMN2 (0.45) ALDH1A1TLR7MEN1TSHRKMT2A
SCHEMBL28867909 0.82 TSHR (0.70) ALDH1A1TLR7MEN1TSHRKMT2A
SCHEMBL19268461 0.81 SCD (0.53) ALDH1A1TLR7MEN1TSHRKMT2A
SCHEMBL3440034 0.81 MAPKAPK2 (0.41) MEN1KMT2ACYP17A1HDAC3NCOR2
SCHEMBL970678 0.80 MEN1 (0.46) TLR7MEN1TSHRKMT2AAURKA
SCHEMBL28262838 0.80 HPGD (0.50) TLR7MEN1TSHRKMT2AAURKA
SCHEMBL3440035 0.77 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1MEN1TSHR
SCHEMBL29969056 0.77 AURKA (0.52) TLR7AURKARPS6KB1SIRT2CYP17A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885TDP1 2660/4885L3MBTL1 3703/4885

“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.