SCHEMBL6034834

SCHEMBL6034834

CN(C)CC#Cc1cncc(NC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2A6 P11509 1/20 0.46
GRM5 P41594 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAPT P10636 3/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
GLA P06280 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6035211 0.82 GRM5 (0.45) LMNAALDH1A1GRM5MAPTSAE1
SCHEMBL1025139 0.77 MAPT (0.39) LMNAALDH1A1MAPTSAE1UBA2
SCHEMBL13778510 0.76 CYP2A6 (0.56) LMNAALDH1A1CYP2A6GRM5
SCHEMBL6034969 0.75 LMNA (0.45) LMNAALDH1A1GRM5NPC1RAB9A
SCHEMBL14156001 0.73 CYP2C19 (0.54) LMNAALDH1A1CYP2A6GRM5MAPT
SCHEMBL1025540 0.72 DYRK1A (0.40) ALDH1A1CYP2A6GRM5MAPTEGLN1
SCHEMBL28723840 0.72 GPR35 (0.47) LMNAALDH1A1GRM5MAPT
SCHEMBL4638868 0.71 RET (0.41) MAPTKDRPTGDR2
SCHEMBL3665917 0.71 CYP2A6 (0.54) LMNAALDH1A1CYP2A6GRM5MAPT
SCHEMBL2258491 0.71 CYP2A6 (0.54) LMNAALDH1A1CYP2A6GRM5CYP2C19

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 6 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 claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
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 LMNA 114/4885ALDH1A1 2625/4885CYP2A6 1109/4885

“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.