SCHEMBL799138

SCHEMBL799138

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.53
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
DGAT1 O75907 2/20 0.44
AAK1 Q2M2I8 3/20 0.39
FFAR1 O14842 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ROCK2 O75116 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
HIF1A Q16665 1/20 0.32
F2 P00734 2/20 0.32
F11 P03951 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL1180889 0.89 USP30 (0.50) USP30BACE1BACE2DGAT1AAK1
SCHEMBL15386256 0.83 USP30 (0.50) USP30BACE1BACE2DGAT1AAK1
SCHEMBL10270283 0.83 USP30 (0.40) USP30BACE1BACE2DGAT1
SCHEMBL25168660 0.81 BACE1 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL2098884 0.81 BACE1 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL799463 0.81 USP30 (0.48) USP30BACE1BACE2DGAT1AAK1
SCHEMBL2730557 0.80 DGAT1 (0.40) USP30DGAT1FFAR1ROCK2GSK3A
SCHEMBL17253142 0.79 DGAT1 (0.46) USP30BACE1BACE2DGAT1AAK1
SCHEMBL12446651 0.78 USP30 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL12185974 0.78 BACE1 (0.49) USP30BACE1BACE2DGAT1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612151-A1 PREPARATION OF IMIDAZOPYRIDINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
WO-2024097573-A1 PREPARATION OF IMIDAZOPYRIDINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed
EP-2906566-B1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-8895729-B2 Process for making thienopyrimidine compounds GENENTECH, INC. (US) 2014-11-25 US disclosed
US-8895729-B2 Process for making thienopyrimidine compounds GENENTECH, INC. (US) 2014-11-25 US disclosed
WO-2014056955-A1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (4 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 USP30 1083/4885BACE1 4396/4885BACE2 3303/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B USP30 4110/4885BACE1 1726/4885BACE2 2017/4885
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 USP30 2365/4885BACE1 4412/4885BACE2 4803/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 USP30 2365/4885BACE1 4412/4885BACE2 4803/4885

“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.