SCHEMBL5451022

SCHEMBL5451022

O=c1c2ccc(F)cc2oc2cc(N3CCOCC3)cc(OP(=O)(O)OC(Cc3ccccc3)c3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.37
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
ATM Q13315 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK8 P45983 3/20 0.32
MAPK9 P45984 1/20 0.32
KDM4E B2RXH2 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL5454455 0.86 PRKDC (0.44) PRKDCPKMTSHRPOLB
SCHEMBL5448690 0.83 PRKDC (0.45) PRKDCKDM4E
SCHEMBL14447676 0.81 PRKDC (0.37) PRKDCNPC1RAB9A
SCHEMBL5451016 0.81 PRKDC (0.41) PRKDCPOLBKCNH2MCHR1ATM
SCHEMBL5801743 0.81 PRKDC (0.42) PRKDCATMKDM4E
SCHEMBL5440528 0.80 PRKDC (0.42) PRKDC
SCHEMBL14468581 0.73 PRKDC (0.38) PRKDCNPC1RAB9AP2RY12
SCHEMBL5453418 0.73 PRKDC (0.52) PRKDCPKMPOLB
SCHEMBL5454450 0.68 PRKDC (0.48) PRKDCPOLB
SCHEMBL14802147 0.68 PRKDC (0.40) PRKDCKDM4EP2RY12

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 12/4885PKM 225/4885TSHR 3106/4885

“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.