SCHEMBL5059683

SCHEMBL5059683

O=C(Nc1ccccc1)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.67
PIK3CD O00329 1/20 0.67
PIK3CA P42336 1/20 0.67
PIK3CB P42338 1/20 0.67
PIK3CG P48736 1/20 0.67
MAPT P10636 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HCRTR1 O43613 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HIF1A Q16665 1/20 0.56
MAPK10 P53779 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL7090447 0.90 PRKDC (0.56) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065271 0.88 MAPT (0.65) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058430 0.86 SMN1; SMN2 (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18553757 0.85 CCNC (0.53) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058550 0.82 PRKDC (0.69) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1316711 0.82 PRKDC (0.57) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063561 0.81 PRKDC (0.62) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058382 0.81 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4252909 0.81 HDAC8 (0.76) MAPTMEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL5058525 0.81 PRKDC (0.75) 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 13 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
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 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 (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.