SCHEMBL3877019

SCHEMBL3877019

O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(c3ccc(F)cc3)CC1)N2

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 19/20 0.69
▸ TSHR P16473 1/20 0.46

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
SCHEMBL3876635 0.91 PARP1 (0.68) PARP1
SCHEMBL3879074 0.90 PARP1 (0.69) PARP1
SCHEMBL3888053 0.89 PARP1 (0.69) PARP1
SCHEMBL3523626 0.87 PARP1 (0.70) PARP1
SCHEMBL16728913 0.85 PARP1 (0.58) PARP1
SCHEMBL61111 0.85 PARP1 (0.58) PARP1
SCHEMBL3523136 0.85 PARP1 (0.71) PARP1
SCHEMBL60751 0.84 PARP1 (0.53) PARP1
SCHEMBL60650 0.84 PARP1 (0.57) PARP1
SCHEMBL3876997 0.84 PARP1 (0.67) PARP1

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
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
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 1/4885TSHR 4441/4885
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 PARP1 1/4885TSHR 4441/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 PARP1 1/4885TSHR 4305/4885

“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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