SCHEMBL6035211

SCHEMBL6035211

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MELK Q14680 1/20 0.38
LMNA P02545 2/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
TYK2 P29597 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
TLR8 Q9NR97 1/20 0.33
PDGFRB P09619 2/20 0.33

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
SCHEMBL6034834 0.82 LMNA (0.55) GRM5MAPTNPC1RAB9AL3MBTL1
SCHEMBL1025540 0.80 DYRK1A (0.40) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL6034073 0.79 PTPN11 (0.43) GRM5ALDH1A1LMNACHRNB2CHRNA3
SCHEMBL6034969 0.79 LMNA (0.45) GRM5NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL1025139 0.78 MAPT (0.39) MAPTALDH1A1LMNASAE1UBA2
SCHEMBL28723840 0.77 GPR35 (0.47) GRM5MAPTALDH1A1LMNA
SCHEMBL4638868 0.76 RET (0.41) MAPTPTGDR2PDGFRBKDR
SCHEMBL32665923 0.73 GRM5 (0.55) GRM5NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL4284069 0.73 GRM5 (0.55) GRM5NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3837869 0.73 GRM5 (0.47) GRM5MAPTNPC1RAB9AALDH1A1

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 GRM5 1861/4885MAPT 786/4885NPC1 784/4885

“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.