SCHEMBL1862485

SCHEMBL1862485

CC(C(=O)OC(C)(C)C)n1ccc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
GRM6 O15303 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RIPK2 O43353 5/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SRC P12931 3/20 0.31
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31

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
SCHEMBL28771845 0.83 LMNA (0.40) LMNAKMT2AHTTATMGRM6
SCHEMBL15880689 0.80 TSHR (0.42) LMNAKMT2AHTTALDH1A1TSHR
SCHEMBL1856231 0.77 F2 (0.40) LMNAKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL31106153 0.75 HTT (0.35) LMNAKMT2AHTTATMALDH1A1
SCHEMBL908755 0.72 KMT2A (0.35) LMNAKMT2AHTTATMALDH1A1
SCHEMBL27677778 0.71 ALDH1A1 (0.33) LMNAKMT2AALDH1A1TSHRHPGD
SCHEMBL306662 0.71 HSP90AA1 (0.39) KMT2AHSP90AA1HSP90AB1SRCPIK3CD
SCHEMBL27693649 0.70 TSHR (0.33) LMNAKMT2AALDH1A1TSHRNPSR1
SCHEMBL7355266 0.69 ALDH1A1 (0.37) LMNAKMT2AHTTATMALDH1A1
SCHEMBL27677779 0.69 MAPT (0.33) MAPTHSP90AA1HSP90AB1SRCPIK3CD

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 4 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
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN 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 LMNA 4599/4885KMT2A 4296/4885HTT 3834/4885

“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.