SCHEMBL5449196

SCHEMBL5449196

NC(=O)c1c(NC(=O)C2CC2)sc2cc(OCCO)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
FLT3 P36888 1/20 0.41
TNIK Q9UKE5 2/20 0.41
MAPT P10636 2/20 0.40
MAPK10 P53779 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
GSK3B P49841 4/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CHEK1 O14757 1/20 0.37
CA4 P22748 1/20 0.37
DYRK1A Q13627 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5454161 0.91 FLT3 (0.41) ABL1FLT3TNIKMAPTMAPK10
SCHEMBL5451020 0.88 ABL1 (0.49) ABL1FLT3MAPTAURKAAURKB
SCHEMBL5453194 0.86 ALDH1A1 (0.41) ABL1FLT3TNIKMAPTMAPK10
SCHEMBL5456020 0.85 MAPT (0.41) ABL1FLT3MAPTMAPK10AURKA
SCHEMBL5451669 0.85 ESR1 (0.51) MAPTCHEK1
SCHEMBL5451194 0.85 POLB (0.40) ABL1FLT3TNIKMAPTMAPK10
SCHEMBL5460935 0.85 MAPT (0.42) ABL1FLT3TNIKMAPTMAPK10
SCHEMBL5453479 0.85 TNIK (0.37) ABL1FLT3TNIKMAPTMAPK10
SCHEMBL5450710 0.84 MAPK10 (0.52) ABL1FLT3MAPTMAPK10AURKA
SCHEMBL5459817 0.83 MAPT (0.46) FLT3TNIKMAPTMAPK10AURKA

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 9 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
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ABL1 3251/4885FLT3 3509/4885TNIK 4134/4885

“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.