SCHEMBL3515927

SCHEMBL3515927

COC(=O)c1cccc2nc(CN)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RNASEH1 O60930 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
RIPK1 Q13546 1/20 0.38
PDE5A O76074 1/20 0.38
CFTR P13569 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL61188 0.88 TNKS2 (0.50) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL51858 0.88 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3520029 0.87 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14550567 0.85 PARP1 (0.40) KDM4ELMNAKMT2APARP1
SCHEMBL50996 0.85 KMT2A (0.41) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL51906 0.83 TYMS (0.49) ALDH1A1HSD17B10CFTR
SCHEMBL50840 0.81 MLLT1 (0.50) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL83409 0.80 MLLT1 (0.52) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL3517823 0.79 MEN1 (0.43) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL3518208 0.79 BCHE (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD

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 16 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
EP-2209375-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE Eisai Inc. (US) 2010-07-28 EP 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
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 KDM4E 891/4885SMN1; SMN2 1340/4885ALDH1A1 486/4885
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 KDM4E 891/4885SMN1; SMN2 1340/4885ALDH1A1 486/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 KDM4E 808/4885SMN1; SMN2 1615/4885ALDH1A1 461/4885

“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.