SCHEMBL5453182

SCHEMBL5453182

CSc1ccc(NC(=O)Nc2ccc3sc(NC(=O)C4CC4)c(C(N)=O)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
FPR2 P25090 3/20 0.40
FLT3 P36888 1/20 0.39
DYRK1A Q13627 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TSHR P16473 1/20 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 0.88 AURKA (0.50) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5453459 0.87 AURKA (0.43) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5460352 0.87 AURKA (0.43) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5459783 0.77 FLT3 (0.48) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5467348 0.76 FLT3 (0.47) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5455604 0.76 MAPT (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14361160 0.73 FLT3 (0.44) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5460557 0.73 FLT3 (0.51) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5448452 0.72 NAMPT (0.49) MEN1KMT2AAURKAAURKBMAPT
SCHEMBL5466117 0.72 FLT3 (0.48) KMT2AAURKAAURKBMAPTNPC1

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 MEN1 2891/4885KMT2A 4785/4885AURKA 869/4885

“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.