SCHEMBL61111

SCHEMBL61111

O=c1[nH]nc2c3c(cccc13)N=C(CN1CCCC1)N2

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.58
▸ TNKS O95271 1/20 0.48
▸ TNKS2 Q9H2K2 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL60650 0.99 PARP1 (0.57) PARP1TNKSTNKS2PARP2
SCHEMBL3886505 0.92 PARP1 (0.70) PARP1TNKSTNKS2PARP2
SCHEMBL3876997 0.92 PARP1 (0.67) PARP1TNKSTNKS2PARP2
SCHEMBL3878215 0.91 PARP1 (0.68) PARP1PARP2
SCHEMBL3529352 0.91 PARP1 (0.68) PARP1TNKSTNKS2PARP2
SCHEMBL3883944 0.91 PARP1 (0.57) PARP1TNKSTNKS2PARP2
SCHEMBL3874952 0.90 PARP1 (0.67) PARP1TNKSTNKS2PARP2
SCHEMBL60751 0.90 PARP1 (0.53) PARP1TNKSTNKS2PARP2
SCHEMBL3523626 0.89 PARP1 (0.70) PARP1PARP2
SCHEMBL3876635 0.88 PARP1 (0.68) PARP1TNKSTNKS2PARP2

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-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2012-12-06 — — US disclosed
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2012-12-06 — — US disclosed
US-8129382-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2012-03-06 — — US disclosed
US-8129382-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2012-03-06 — — US disclosed
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2010-10-07 — — US disclosed
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2010-10-07 — — US disclosed
US-7750008-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2010-07-06 — — US disclosed
US-7750008-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2010-07-06 — — US disclosed
US-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis EISAI CORPORATION OF NORTH AMERICA (US) 2009-12-03 — — US disclosed
US-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis EISAI CORPORATION OF NORTH AMERICA (US) 2009-12-03 — — US disclosed
US-7601719-B2 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme EISAI CORPORATION OF NORTH AMERICA (US) 2009-10-13 — — US disclosed
US-7601719-B2 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme EISAI CORPORATION OF NORTH AMERICA (US) 2009-10-13 — — US disclosed
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme MGI GP, INC. (US) 2009-04-02 — — US disclosed
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme MGI GP, INC. (US) 2009-04-02 — — US disclosed
US-7456178-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2008-11-25 — — US disclosed
US-7456178-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2008-11-25 — — US disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 — — US disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 — — US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 — — US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 — — 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 (5 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-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis PARP1, PARP2, NLRP3 PARP1 1/4885TNKS 15/4885TNKS2 46/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 PARP1 1/4885TNKS 14/4885TNKS2 15/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 PARP1 1/4885TNKS 14/4885TNKS2 15/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 PARP1 1/4885TNKS 15/4885TNKS2 24/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 PARP1 1/4885TNKS 14/4885TNKS2 15/4885

“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.

Send feedback