SCHEMBL6578442

SCHEMBL6578442

CC(=O)c1cccc(C#N)c1.N#Cc1cccc(C(=O)CBr)c1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.85
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
GRM5 P41594 1/20 0.43
GPR139 Q6DWJ6 1/20 0.41
VNN1 O95497 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ACACB O00763 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL38645 0.92 GSK3B (1.00) GSK3BPTPN1ALDH1A1MAPTGRM5
SCHEMBL29615087 0.92 GSK3B (1.00) GSK3BPTPN1ALDH1A1MAPTGRM5
SCHEMBL30239069 0.87 GSK3B (0.61) GSK3BALDH1A1MAPTGRM5GPR139
SCHEMBL39137 0.87 GSK3B (0.61) GSK3BALDH1A1MAPTGRM5GPR139
SCHEMBL18380618 0.84 GSK3B (0.57) GSK3BPTPN1ALDH1A1MAPTMEN1
SCHEMBL8489037 0.80 GSK3B (0.66) GSK3BALDH1A1MAPTGRM5GPR139
SCHEMBL12231204 0.79 GSK3B (0.70) GSK3BALDH1A1MAPTGRM5GPR139
SCHEMBL2310105 0.79 GSK3B (0.70) GSK3BALDH1A1GRM5GPR139VNN1
SCHEMBL29556203 0.79 GSK3B (0.70) GSK3BALDH1A1GRM5GPR139VNN1
SCHEMBL8105775 0.79 GSK3B (0.74) GSK3BALDH1A1MAPTGRM5GPR139

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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 GSK3B 1171/4885PTPN1 769/4885ALDH1A1 118/4885

“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.