SCHEMBL84344

SCHEMBL84344

CN1C(=O)CN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.41
NR1H2 P55055 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL31080015 0.82 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL120243 0.82 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL29136746 0.81 USP2 (0.43) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL3429052 0.81 MAPK1 (0.51) ESR2NR1H2MAPK1HDAC1DDB1
SCHEMBL1968373 0.80 USP2 (0.46) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL31218507 0.79 CHRM2 (0.44) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL2292608 0.79 USP2 (0.52) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL995131 0.78 USP2 (0.52) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL25422301 0.78 USP2 (0.47) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL13801225 0.78 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US disclosed
US-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2016-12-01 US disclosed
US-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2016-12-01 US disclosed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS PHARMACEUTICALS CORPORATION 2015-05-21 US disclosed
EP-2637665-B1 DEXAMETHASONE COMBINATION THERAPY UNIV TEXAS (US) 2015-04-08 EP disclosed
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 EP disclosed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 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 (8 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-20160346292-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P USP2 1749/4885SMN1; SMN2 4380/4885ESR2 920/4885
US-20150141426-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 USP2 4546/4885SMN1; SMN2 3256/4885ESR2 4773/4885
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones TYMP, TPMT, TYMS USP2 2888/4885SMN1; SMN2 87/4885ESR2 4004/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF USP2 2043/4885SMN1; SMN2 4075/4885ESR2 3133/4885
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P USP2 1749/4885SMN1; SMN2 4380/4885ESR2 920/4885
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS HSP90AB1, HSP90B1, HSP90AA1 USP2 1190/4885SMN1; SMN2 3559/4885ESR2 1578/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB USP2 4385/4885SMN1; SMN2 4203/4885ESR2 2677/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 USP2 2756/4885SMN1; SMN2 940/4885ESR2 2608/4885

“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.