SCHEMBL5453459

SCHEMBL5453459

NC(=O)c1c(NC(=O)C2CC2)sc2ccc(NC(=O)Nc3ccc(I)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
FLT3 P36888 1/20 0.41
DYRK1A Q13627 2/20 0.41
TNIK Q9UKE5 4/20 0.39
MAPK10 P53779 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL5450627 0.90 AURKA (0.50) AURKAAURKBFLT3DYRK1ATNIK
SCHEMBL5460352 0.89 AURKA (0.43) AURKAAURKBFLT3DYRK1ATNIK
SCHEMBL5453182 0.87 MEN1 (0.45) AURKAAURKBFLT3DYRK1ATNIK
SCHEMBL5459783 0.79 FLT3 (0.48) AURKAAURKBFLT3TNIKMAPK10
SCHEMBL5467348 0.78 FLT3 (0.47) AURKAAURKBFLT3TNIKMAPK10
SCHEMBL14361160 0.76 FLT3 (0.44) AURKAAURKBFLT3TNIKMAPK10
SCHEMBL5460557 0.75 FLT3 (0.51) AURKAAURKBFLT3TNIKMAPK10
SCHEMBL5448452 0.75 NAMPT (0.49) AURKAAURKBFLT3MAPK10MAPT
SCHEMBL5458283 0.74 MEN1 (0.43) DYRK1ATNIKMAPTKMT2ACA12
SCHEMBL5466117 0.72 FLT3 (0.48) AURKAAURKBFLT3TNIKMAPK10

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 AURKA 869/4885AURKB 585/4885FLT3 3509/4885

“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.