SCHEMBL5059642

SCHEMBL5059642

O=C(c1ccc(N2CCOCC2)cc1O)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.71
PIK3CD O00329 2/20 0.64
PIK3CA P42336 2/20 0.64
PIK3CB P42338 2/20 0.64
PIK3CG P48736 2/20 0.64
HSP90AA1 P07900 5/20 0.56
HSP90AB1 P08238 3/20 0.56
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
ERN1 O75460 1/20 0.50
IDE P14735 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5065308 0.94 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058355 0.93 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5054855 0.90 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11921365 0.90 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.84 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29776854 0.83 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL600210 0.83 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4992024 0.83 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063516 0.82 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090207 0.82 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885PIK3CD 829/4885PIK3CA 454/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885PIK3CD 829/4885PIK3CA 454/4885

“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.