SCHEMBL6035359

SCHEMBL6035359

CN(C)CC#Cc1ccncc1NC(=O)OC(C)(C)C.O=C(O)Nc1cncc(C#CCN2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
NAMPT P43490 2/20 0.32
PDE5A O76074 2/20 0.32
PDE4A P27815 2/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE3B Q13370 2/20 0.32

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
SCHEMBL6035364 0.84 ALDH1A1 (0.32) ALDH1A1LMNAHTR1DHTR1BCYP2A6
SCHEMBL6035817 0.81 ACHE (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6035878 0.80 NAMPT (0.41) HTR1DHTR1BNAMPTPDE5APDE4A
SCHEMBL6034969 0.76 LMNA (0.45) ALDH1A1LMNAPIK3CAPIK3CDPIK3R1
SCHEMBL6034128 0.75 KDM4E (0.41) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL6607970 0.74 NAMPT (0.38) HTR1DHTR1BNAMPTPDE5APDE4A
SCHEMBL6034834 0.73 LMNA (0.55) ALDH1A1LMNAHTR1DHTR1BCYP2A6
SCHEMBL6034096 0.72 CYP2A6 (0.44) ALDH1A1LMNAHTR1DHTR1BCYP2A6
SCHEMBL6606922 0.69 HTR1D (0.33) ALDH1A1HTR1DHTR1BNAMPTPDE5A
SCHEMBL6633082 0.67 NAMPT (0.40) LMNANAMPTNR1I3PTPN11

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 1 patent. 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 claimed

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 ALDH1A1 2625/4885LMNA 114/4885CHRM2 21/4885

“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.