SCHEMBL448042

SCHEMBL448042

CN(C(=O)OC(C)(C)C)c1ccnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
PAX8 Q06710 1/20 0.38
AAK1 Q2M2I8 5/20 0.37
ATR Q13535 1/20 0.36
SSTR4 P31391 1/20 0.35
CNR2 P34972 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
TTK P33981 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
USP30 Q70CQ3 1/20 0.32
FGFR4 P22455 1/20 0.32
MT-CO2 P00403 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15740829 0.88 SYK (0.46) SYKPAX8AAK1ATRSSTR4
SCHEMBL25414019 0.84 SYK (0.42) SYKAAK1ATRSSTR4STK17B
SCHEMBL6221980 0.82 SYK (0.41) SYKAAK1ATRSSTR4STK17B
SCHEMBL3928632 0.79 CNR2 (0.42) SYKPAX8AAK1ATRSSTR4
SCHEMBL29650144 0.79 CNR2 (0.42) SYKPAX8AAK1ATRSSTR4
SCHEMBL8083910 0.79 PAX8 (0.52) SYKPAX8AAK1POLBKMT2A
SCHEMBL13409179 0.79 SYK (0.37) SYKAAK1ATRSSTR4STK17B
SCHEMBL17509517 0.78 FGFR4 (0.36) POLBKMT2AFGFR4SMN1; SMN2
SCHEMBL24862330 0.78 SYK (0.40) SYKAAK1ATRSSTR4STK17B
SCHEMBL13449472 0.78 F2 (0.37) SYKAAK1ATRSSTR4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (11 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SYK 1338/4885PAX8 4534/4885AAK1 3208/4885
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 SYK 861/4885PAX8 4495/4885AAK1 3421/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SYK 1286/4885PAX8 4306/4885AAK1 3205/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SYK 1381/4885PAX8 4582/4885AAK1 3422/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SYK 678/4885PAX8 4362/4885AAK1 3692/4885
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 SYK 1835/4885PAX8 4425/4885AAK1 1673/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SYK 1381/4885PAX8 4582/4885AAK1 3422/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 SYK 1835/4885PAX8 4425/4885AAK1 1673/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 SYK 1835/4885PAX8 4425/4885AAK1 1673/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SYK 678/4885PAX8 4362/4885AAK1 3692/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 SYK 1835/4885PAX8 4425/4885AAK1 1673/4885

“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.