SCHEMBL5453529

SCHEMBL5453529

COc1ccc(NC(=O)Nc2sc3c(c2C(N)=O)CCC(O)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.59
FLT3 P36888 4/20 0.53
MAPT P10636 4/20 0.53
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
KCNH2 Q12809 8/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL5458229 0.89 TNIK (0.61) TNIKMAPTKCNH2RXFP1
SCHEMBL5462758 0.87 TNIK (0.54) TNIKMAPTDUSP3PTPN5PTPN11
SCHEMBL5452297 0.87 TNIK (0.54) TNIKMAPTDUSP3PTPN5PTPN11
SCHEMBL5451267 0.86 TNIK (0.59) TNIKFLT3MAPTDUSP3PTPN5
SCHEMBL5448399 0.86 TNIK (0.62) TNIKMAPTDUSP3PTPN5PTPN11
SCHEMBL5453345 0.86 TNIK (0.59) TNIKMAPTDUSP3PTPN5PTPN11
SCHEMBL5752965 0.86 TNIK (0.74) TNIKFLT3MAPTDUSP3PTPN5
SCHEMBL5446149 0.86 TNIK (0.74) TNIKFLT3MAPTDUSP3PTPN5
SCHEMBL5459994 0.86 TNIK (0.74) TNIKFLT3MAPTDUSP3PTPN5
SCHEMBL5446191 0.86 TNIK (0.59) TNIKMAPTDUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 TNIK 4134/4885FLT3 3509/4885MAPT 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.