SCHEMBL1634719

SCHEMBL1634719

CCOC(OCC)C(Br)CC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 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
SCHEMBL14355522 0.87 THRB (0.35) THRBLMNA
SCHEMBL9714481 0.80 THRB (0.38) THRBLMNA
SCHEMBL6721190 0.78 THRB (0.36) THRBLMNA
SCHEMBL11488780 0.75 THRB (0.44) THRBLMNA
SCHEMBL9714704 0.75 THRB (0.44) THRBLMNA
SCHEMBL11602009 0.74 ADRB2 (0.35)
SCHEMBL1568155 0.73 THRB (0.57) THRBLMNA
SCHEMBL6180838 0.73
SCHEMBL5182048 0.73 LMNA (0.47) THRBLMNA
SCHEMBL7863883 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103415518-A Imidazopyrazines for use as MPS-1 and TKK inhibitors in the treatment hyperproliferative disorders BAYER IP GMBH 2013-11-27 CN disclosed
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
EP-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
CN-101679277-A Novel peptide inhibitors of hepatitis c virus replication INTERMUNE INC 2010-03-24 CN disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
CN-1633419-A CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2005-06-29 CN disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
US-20040224966-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 US disclosed
US-20040102630-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2004-05-27 US disclosed
EP-1392662-A1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002096888-A1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-05 WO disclosed
WO-1994027985-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-HALOMETHYL-BENZOTHIOPHENES, BENZOFURANS AND -INDOLES AND INTERMEDIATES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1994-12-08 WO disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D THRB 342/4885LMNA 1253/4885
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 THRB 4115/4885LMNA 3054/4885
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS TK1, CDKL1, CDK1 THRB 1961/4885LMNA 2287/4885
US-20040102630-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 THRB 2763/4885LMNA 2834/4885
US-20040224966-A1 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 THRB 2747/4885LMNA 2695/4885

“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.