SCHEMBL3876997

SCHEMBL3876997

CN1CCN(CC2=Nc3cccc4c(=O)[nH]nc(c34)N2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 19/20 0.67
▸ TNKS O95271 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ PIM1 P11309 1/20 0.48
▸ CSNK1D P48730 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
SCHEMBL3886505 0.96 PARP1 (0.70) PARP1TNKSTNKS2PARP2
SCHEMBL3883944 0.92 PARP1 (0.57) PARP1TNKSTNKS2PARP2
SCHEMBL61111 0.92 PARP1 (0.58) PARP1TNKSTNKS2PARP2
SCHEMBL60650 0.91 PARP1 (0.57) PARP1TNKSTNKS2PARP2
SCHEMBL60751 0.89 PARP1 (0.53) PARP1TNKSTNKS2PARP2
SCHEMBL3874952 0.89 PARP1 (0.67) PARP1TNKSTNKS2PARP2
2X-121 SCHEMBL29393542 0.87 PARP1 (0.66) PARP1TNKSTNKS2PARP2
2X-121 SCHEMBL31157849 0.87 PARP1 (0.66) PARP1TNKSTNKS2PARP2
2X-121 SCHEMBL3886731 0.87 PARP1 (0.66) PARP1TNKSTNKS2PARP2
SCHEMBL3876635 0.87 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2015-05-21 — — US disclosed
US-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2015-05-21 — — US disclosed
EP-2842956-A1 PARP inhibitor compounds, compositions and methods of use Eisai Inc. (US) 2015-03-04 — — EP disclosed
US-8894989-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2014-11-25 — — US disclosed
US-8894989-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2014-11-25 — — US disclosed
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2013-01-10 — — US disclosed
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2013-01-10 — — US disclosed
US-8236802-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2012-08-07 — — US disclosed
US-8236802-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2012-08-07 — — US disclosed
US-8236802-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2012-08-07 — — US disclosed
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE MGI GP, INC. (US) 2009-04-16 — — US disclosed
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE MGI GP, INC. (US) 2009-04-16 — — US disclosed
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE MGI GP, INC. (US) 2009-04-16 — — US disclosed
WO-2009046205-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI RESEARCH INSTITUTE (US) 2009-04-09 — — 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 (3 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-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 PARP1 1/4885TNKS 15/4885TNKS2 36/4885
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 PARP1 1/4885TNKS 15/4885TNKS2 36/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 PARP1 1/4885TNKS 17/4885TNKS2 43/4885

“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.

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