SCHEMBL3068637

SCHEMBL3068637

CN(C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)c1cccn12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.68
AURKB Q96GD4 1/20 0.52
TP53 P04637 3/20 0.48
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CACNA1G O43497 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLR1A O95602 2/20 0.44
ECE1 P42892 1/20 0.44
MUS81 Q96NY9 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL3084923 0.81 PARP1 (1.00) PARP1AURKBMAPTCACNA1GKDM4E
SCHEMBL3083967 0.80 PARP1 (0.64) PARP1AURKBTP53MAPTKMT2A
SCHEMBL3077205 0.80 PARP1 (0.75) PARP1AURKBMAPTKMT2AKDM4E
SCHEMBL3080392 0.79 PARP1 (0.62) PARP1AURKBTP53
SCHEMBL3074505 0.79 PARP1 (0.83) PARP1AURKBMAPTKDM4EALDH1A1
SCHEMBL3074379 0.79 PARP1 (0.87) PARP1AURKBMAPTCACNA1GKMT2A
SCHEMBL3344406 0.79 PARP1 (0.83) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3074794 0.78 PARP1 (0.69) PARP1AURKBTP53MAPTRXFP1
SCHEMBL3084927 0.77 PARP1 (1.00) PARP1AURKBTP53RXFP1ALDH1A1
SCHEMBL30902531 0.77 PARP1 (0.67) PARP1AURKBTP53MAPTKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (2 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885AURKB 1768/4885TP53 177/4885
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 PARP1 1573/4885AURKB 269/4885TP53 315/4885

“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.