SCHEMBL666413

SCHEMBL666413

CNC(=O)c1cn[c]nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
CA2 P00918 1/20 0.38
MMP13 P45452 1/20 0.37
GRM5 P41594 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
THRB P10828 1/20 0.36
HPGDS O60760 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
SCHEMBL2440695 0.75
SCHEMBL958568 0.75 PLK1 (0.44) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL669122 0.74 HCAR2 (0.58) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL4921292 0.74 RAF1 (0.39) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL1897307 0.73
SCHEMBL19300252 0.73 BAZ2B (0.49) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL3408393 0.72 PLK1 (0.38) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL1037075 0.72 SCN9A (0.43) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL24051970 0.71 HDAC6 (0.67) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL16771926 0.71 BAZ2B (0.47) PLK1HDAC8HDAC6HDAC2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP claimed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US claimed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 WO claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
CN-103517710-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2014-01-15 CN disclosed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP disclosed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP disclosed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO disclosed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US disclosed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 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 (5 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-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin HTR2B, HTR1B, HTR5A PLK1 3454/4885HDAC8 3937/4885HDAC6 4259/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 PLK1 73/4885HDAC8 549/4885HDAC6 700/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 PLK1 73/4885HDAC8 549/4885HDAC6 700/4885
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 PLK1 73/4885HDAC8 549/4885HDAC6 700/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 PLK1 73/4885HDAC8 549/4885HDAC6 700/4885

“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.