SCHEMBL1865473

SCHEMBL1865473

CC(C)(C)OC(=O)NCC#CCn1ccc([N+](=O)[O-])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
ADRA2A P08913 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
P2RY6 Q15077 1/20 0.40
ALDH1A1 P00352 4/20 0.40
PTPN11 Q06124 1/20 0.40
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10264585 0.83 LMNA (0.46) KMT2AMEN1PKMGAACYP1A2
SCHEMBL1862499 0.81 PTPN11 (0.43) LMNAPTPN11POLBBRD4MAPK1
SCHEMBL521187 0.76 PKM (0.53) KMT2AMEN1PKMGAACYP1A2
SCHEMBL12633734 0.76 KMT2A (0.45) KMT2AMEN1PKMGAACYP1A2
SCHEMBL1868398 0.76 PKM (0.48) KMT2AMEN1PKMGAACYP1A2
SCHEMBL1856233 0.74 ALDH1A1 (0.51) KMT2AMEN1PKMGAACYP1A2
SCHEMBL1859213 0.73 PKM (0.45) KMT2AMEN1PKMGAACYP1A2
SCHEMBL1870854 0.72 SMN1; SMN2 (0.45) KMT2AMEN1PKMGAALMNA
SCHEMBL25305914 0.71 LMNA (0.43) KMT2AMEN1PKMGAACYP1A2
SCHEMBL10255904 0.71 LMNA (0.43) KMT2AMEN1PKMGAACYP1A2

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 7 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-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
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 KMT2A 4296/4885MEN1 4026/4885PKM 116/4885

“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.