SCHEMBL15919245

SCHEMBL15919245

COc1ccc(C#N)cc1N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
NCEH1 Q6PIU2 2/20 0.37
KDM4D Q6B0I6 1/20 0.37
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
EGLN2 Q96KS0 2/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
AR P10275 2/20 0.34
MCL1 Q07820 1/20 0.34
ALPL P05186 1/20 0.34
DRD2 P14416 1/20 0.34
LMNA P02545 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL14995850 0.78 AR (0.42) ALDH1A1GAANCEH1HCRTR2MEN1
SCHEMBL15005886 0.75 NAMPT (0.39) KDM4EALDH1A1GAA
SCHEMBL3189598 0.73 KDM4E (0.41) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL15005922 0.73 KDM4E (0.34) KDM4EALDH1A1GAACTSL
SCHEMBL4364572 0.72 EGLN2 (0.42) KDM4DCTSLCTSBCTSSEGLN2
SCHEMBL21605005 0.71 GPR119 (0.37) CTSLCTSBCTSSEGLN2DRD2
SCHEMBL30147842 0.71 GPR119 (0.37) CTSLCTSBCTSSEGLN2DRD2
SCHEMBL4081997 0.71 KDM4E (0.39) KDM4EALDH1A1GAACTSSMEN1
SCHEMBL4564052 0.70 CTSS (0.41) CTSLCTSBCTSSLMNA
SCHEMBL26144386 0.70 CETP (0.38) KDM4DMAPTARLMNACETP

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
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
EP-2948453-B1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 US disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
EP-2785717-B1 PYRAZOLOPYRROLIDINE COMPOUNDS NOVARTIS AG (CH) 2016-01-13 EP disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS PHARMA AG (CH) 2015-12-10 US disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8969341-B2 Pyrazolopyrrolidine compounds NOVARTIS AG (CH) 2015-03-03 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140350010-A1 Pyrazolopyrrolidine Compounds NOVARTIS AG (CH) 2014-11-27 US disclosed
WO-2014115080-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION NOVARTIS AG (CH) 2014-07-31 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 (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-20140350010-A1 Pyrazolopyrrolidine Compounds MDM4, MDM2, TP53 KDM4E 2322/4885ALDH1A1 2335/4885GAA 379/4885
US-20150353563-A1 PYRAZOLO[3,4-D]PYRIMIDINONE COMPOUNDS AS INHIBITORS OF THE P53/MDM2 INTERACTION TP53, MDM4, MDM2 KDM4E 2728/4885ALDH1A1 2135/4885GAA 1716/4885

“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.