SCHEMBL5063530

SCHEMBL5063530

O=c1cc(-c2ccccc2)oc2cc(N3CCOCC3)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 1.00
CCNC P24863 5/20 0.65
CDK8 P49336 5/20 0.65
MAPT P10636 6/20 0.64
ABCB1 P08183 6/20 0.64
CYP3A4 P08684 5/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP1A1 P04798 4/20 0.64
CYP1A2 P05177 4/20 0.64
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
CYP1B1 Q16678 4/20 0.64
FTO Q9C0B1 4/20 0.64
CYP2C9 P11712 4/20 0.64
CYP2C19 P33261 4/20 0.64
POLH Q9Y253 4/20 0.64
ABCG2 Q9UNQ0 3/20 0.64
KDM4E B2RXH2 3/20 0.64
GABRP O00591 3/20 0.64

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
SCHEMBL29492842 1.00 PRKDC (1.00) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL7092594 0.96 PRKDC (0.91) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL28762682 0.90 PRKDC (0.81) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5058392 0.89 PRKDC (0.80) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5058357 0.87 PRKDC (0.77) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5063525 0.85 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5055259 0.85 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5054842 0.85 PRKDC (0.74) PRKDCCCNCCDK8MAPTABCB1
SCHEMBL5054849 0.80 PRKDC (0.67) PRKDCMAPTABCB1CYP3A4MEN1
Chrysin SCHEMBL44474 0.79 MAPT (1.00) CCNCCDK8MAPTABCB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 US disclosed
US-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION THE UNITED STATE OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPT OF HEALTH AND HUMAN SERVICE (US) 2010-05-27 US disclosed
WO-2009008991-A2 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES NATIONAL INSTITUTES OF HEALTH (US) 2009-01-15 WO disclosed
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 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 (4 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-20100130597-A1 DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION PRKAB1, PRKAG1, PRKAB2 PRKDC 81/4885CCNC 3135/4885CDK8 1236/4885
US-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885CCNC 195/4885CDK8 235/4885
US-20080312307-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 PRKDC 103/4885CCNC 648/4885CDK8 123/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 PRKDC 17/4885CCNC 195/4885CDK8 235/4885

“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.