SCHEMBL854273

SCHEMBL854273

CC(C)CN(N)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA9 Q16790 1/20 0.33
CA7 P43166 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL18290052 0.86 MAPK1 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL6525725 0.82 CA14 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL2713441 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL20326558 0.79 CA1 (0.45) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL1760208 0.78 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL13490197 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL842922 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL25925036 0.77 CA1 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL1025291 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL12778070 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109906227-B 8, 9-dihydroimidazo [1,2-a ] pyrimido [5,4-e ] pyrimidin-5 (6H) -ones 上海瑛派药业有限公司 2022-03-11 CN disclosed
CN-110003214-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2021-12-21 CN disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US disclosed
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 US disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-09-20 US disclosed
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
EP-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 EP disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20090240055-A1 Method for 1H-Imidazo[4,5-C] Pyridines and Analogs Thereof KREPSKI LARRY R 2009-09-24 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1937683-A1 METHOD FOR 1H-IMIDAZOÝ4,5-c¨PYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2008-07-02 EP disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
WO-2007035935-A1 METHOD FOR 1H-IMIDAZO[4,5-c]PYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-03-29 WO disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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 (10 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HDAC6 331/4885HDAC1 293/4885HDAC2 282/4885
US-20090240055-A1 Method for 1H-Imidazo[4,5-C] Pyridines and Analogs Thereof CYP4B1, CYP4F8, CYP4X1 HDAC6 1670/4885HDAC1 672/4885HDAC2 1079/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP HDAC6 666/4885HDAC1 1978/4885HDAC2 1697/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK HDAC6 2791/4885HDAC1 1245/4885HDAC2 1667/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 HDAC6 451/4885HDAC1 1158/4885HDAC2 1478/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HDAC6 1276/4885HDAC1 443/4885HDAC2 384/4885
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP HDAC6 3399/4885HDAC1 4630/4885HDAC2 4764/4885
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK HDAC6 2791/4885HDAC1 1245/4885HDAC2 1667/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK HDAC6 2922/4885HDAC1 1498/4885HDAC2 1846/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HDAC6 360/4885HDAC1 877/4885HDAC2 910/4885

“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.