SCHEMBL2505488

SCHEMBL2505488

CC(C)(C)OC(=O)N1CCCc2nc[nH]c(=O)c2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MAPT P10636 2/20 0.42
SPR P35270 3/20 0.41
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ESR2 Q92731 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
HCAR1 Q9BXC0 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.37
F12 P00748 1/20 0.36

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
SCHEMBL2799009 0.93 MAPT (0.48) PARP1TNKS2PARP2MAPTSPR
SCHEMBL2482118 0.91 PARP1 (0.45) PARP1TNKS2PARP2MAPTSPR
SCHEMBL2792908 0.86 DDB1 (0.43) PARP1TNKS2PARP2MAPTKDM4E
SCHEMBL2795751 0.85 PARP1 (0.51) PARP1TNKS2PARP2MAPTSPR
SCHEMBL7740701 0.79 KDM4E (0.46) MAPTKDM4ERXFP1MAPK1SCN9A
SCHEMBL22715947 0.78 ESR2 (0.43) PARP1TNKS2PARP2MAPTESR2
SCHEMBL938687 0.77 KDM4E (0.67) MAPTKDM4ERXFP1KMT2A
SCHEMBL2511081 0.77 POLB (0.43) MAPTESR2MAPK1NR1H2MEN1
SCHEMBL3705234 0.76 MAPT (0.48) PARP1TNKS2PARP2MAPTESR2
SCHEMBL1997384 0.76 ESR2 (0.46) PARP1TNKS2PARP2MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-8541432-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-09-24 US disclosed
US-8501756-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-08-06 US disclosed
US-8492393-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-23 US disclosed
US-8486954-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-16 US disclosed
US-8431584-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-8242125-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2376478-A2 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE Novartis AG (CH) 2011-10-19 EP disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 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 (6 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-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885TNKS2 441/4885PARP2 521/4885

“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.