SCHEMBL6034073

SCHEMBL6034073

CC(C)(C)OC(=O)Nc1cncc(C#CCO)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
NAMPT P43490 2/20 0.42
CYP17A1 P05093 3/20 0.41
LMNA P02545 2/20 0.39
GRM5 P41594 1/20 0.39
PSMB8 P28062 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
RORC P51449 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL12209857 0.84 NAMPT (0.45) PTPN11NAMPTCYP17A1PSMB8EGLN2
SCHEMBL6633082 0.83 NAMPT (0.40) PTPN11NAMPTCYP17A1LMNARORC
SCHEMBL12209853 0.83 NAMPT (0.43) PTPN11NAMPTCYP17A1PSMB8RORC
SCHEMBL6035817 0.83 ACHE (0.41) PTPN11NAMPTCYP17A1LMNAGRM5
SCHEMBL1479189 0.82 MAPT (0.49) PTPN11NAMPTCYP17A1
SCHEMBL6600061 0.82 LMNA (0.47) PTPN11NAMPTCYP17A1LMNARORC
SCHEMBL21605007 0.81 EGLN2 (0.47) NAMPTCYP17A1GRM5RORCEGLN2
SCHEMBL29996741 0.81 EGLN2 (0.47) NAMPTCYP17A1GRM5RORCEGLN2
SCHEMBL13529222 0.81 PTPN11 (0.46) PTPN11NAMPTCYP17A1RORC
SCHEMBL14428036 0.80 NAMPT (0.54) NAMPTCYP17A1PSMB8RORCMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL PTPN11 973/4885NAMPT 1506/4885CYP17A1 489/4885

“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.