SCHEMBL3517823

SCHEMBL3517823

COC(=O)c1cccc2nc(CN3CCNCC3)[nH]c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MLLT1 Q03111 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD4 P21917 3/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL3518675 0.96 MLLT1 (0.44) MEN1KMT2AKDM4EGAATSHR
SCHEMBL50840 0.91 MLLT1 (0.50) MEN1KMT2AKDM4EGAATSHR
SCHEMBL83409 0.90 MLLT1 (0.52) MEN1KMT2AKDM4EGAATSHR
SCHEMBL14550565 0.88 GAA (0.45) MEN1KMT2AKDM4EGAATSHR
SCHEMBL3519685 0.88 SMN1; SMN2 (0.43) MEN1KMT2AGAATSHRHSD17B10
SCHEMBL61188 0.81 TNKS2 (0.50) KMT2AKDM4EGAATSHRHSD17B10
SCHEMBL51858 0.81 KDM4E (0.41) KMT2AKDM4EGAATSHRHSD17B10
SCHEMBL3520029 0.79 KDM4E (0.45) MEN1KMT2AKDM4EGAATSHR
SCHEMBL3515927 0.79 KDM4E (0.40) KMT2AKDM4EGAATSHRHSD17B10
SCHEMBL50996 0.78 KMT2A (0.41) MEN1KMT2AKDM4EGAATSHR

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 10 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
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-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
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
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 MEN1 1486/4885KMT2A 483/4885KDM4E 891/4885
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 MEN1 1486/4885KMT2A 483/4885KDM4E 891/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 MEN1 1470/4885KMT2A 491/4885KDM4E 808/4885

“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.