SCHEMBL5459622

SCHEMBL5459622

O=c1c2ccc(F)cc2[nH]c2cc(N3CCOCC3)cc(O)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.45
FEN1 P39748 1/20 0.41
TDO2 P48775 1/20 0.41
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
TERT O14746 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CCR4 P51679 1/20 0.38
HTR3A P46098 1/20 0.38
KIF11 P52732 1/20 0.38
AKT1 P31749 2/20 0.38
AKR1C3 P42330 1/20 0.38
BRAF P15056 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
SCHEMBL5440644 0.84 PRKDC (0.55) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL5453418 0.79 PRKDC (0.52) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL5442834 0.75 PRKDC (0.48) PRKDCFEN1PIK3CDPIK3CBPIK3CA
SCHEMBL5452484 0.75 SIRT2 (0.43) PRKDCPKM
SCHEMBL5456141 0.74 SIRT2 (0.44) PRKDCMAPTPKMAKR1C3
SCHEMBL5440694 0.69 PRKDC (0.55) PRKDCMAPT
SCHEMBL5781920 0.68 PRKDC (0.53) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL14976552 0.68 PARP1 (0.66) PRKDCTDO2PARP1PARP2PIK3CD
SCHEMBL5446303 0.68 PRKDC (0.53) PRKDCPIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL5454434 0.68 MGAM (0.63) PRKDC

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-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1660473-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS Luitpold Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 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-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors DCK, DTYMK, XPA PRKDC 12/4885FEN1 87/4885TDO2 2573/4885

“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.