SCHEMBL3540173

SCHEMBL3540173

O=c1c(OCc2ccccc2)c(N2CCOCC2)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.50
PIK3CG P48736 1/20 0.47
P2RY12 Q9H244 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ACE P12821 1/20 0.45
ECE1 P42892 1/20 0.45
ATM Q13315 3/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP11B2 P19099 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL8882576 0.85 ALDH1A1 (0.47) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL8799185 0.83 PRKDC (0.45) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL7326772 0.83 P2RY12 (0.48) PRKDCPIK3CGP2RY12ALDH1A1KDM4E
SCHEMBL7320730 0.82 P2RY12 (0.48) PRKDCP2RY12ALDH1A1KDM4EACE
SCHEMBL7327192 0.81 ABCG2 (0.52) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL8882070 0.78 P2RY12 (0.53) PRKDCP2RY12ALDH1A1KDM4EACE
SCHEMBL8882176 0.78 KMT2A (0.59) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL7326699 0.77 MAPT (0.55) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL3541003 0.77 PRKDC (0.43) PRKDCALDH1A1KDM4EACEECE1
SCHEMBL8897756 0.76 P2RY12 (0.42) PRKDCPIK3CGP2RY12ALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 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 (2 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 PRKDC 92/4885PIK3CG 688/4885P2RY12 4071/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885PIK3CG 740/4885P2RY12 3589/4885

“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.