SCHEMBL5454161

SCHEMBL5454161

NCCCOc1ccc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.41
ABL1 P00519 2/20 0.40
MAPT P10636 5/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPK10 P53779 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TNIK Q9UKE5 2/20 0.37
TP53 P04637 1/20 0.37
DYRK1A Q13627 1/20 0.36
PRNP P04156 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL5449196 0.91 ABL1 (0.50) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5451020 0.87 ABL1 (0.49) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5456020 0.84 MAPT (0.41) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5451669 0.84 ESR1 (0.51) MAPTTP53TSHRHTTNPSR1
SCHEMBL5460935 0.84 MAPT (0.42) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5450710 0.84 MAPK10 (0.52) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5459817 0.82 MAPT (0.46) FLT3MAPTAURKAAURKBMAPK10
SCHEMBL5453479 0.82 TNIK (0.37) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5452407 0.81 MEN1 (0.43) FLT3ABL1MAPTAURKAAURKB
SCHEMBL5453194 0.81 ALDH1A1 (0.41) FLT3ABL1MAPTAURKAAURKB

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 4 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

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 FLT3 3509/4885ABL1 3251/4885MAPT 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.