SCHEMBL616053

SCHEMBL616053

[CH2]CCN1CCCCC1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.46
HRH3 Q9Y5N1 8/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2098979 1.00 CXCR4 (0.46) CXCR4HRH3ALDH1A1KDM4E
SCHEMBL2099968 1.00 CXCR4 (0.46) CXCR4HRH3ALDH1A1KDM4E
SCHEMBL2100958 0.98 CXCR4 (0.45) CXCR4HRH3ALDH1A1KDM4E
SCHEMBL2100067 0.98 CXCR4 (0.45) CXCR4HRH3ALDH1A1KDM4E
SCHEMBL736496 0.93
SCHEMBL738621 0.93
SCHEMBL771157 0.93
SCHEMBL3080548 0.88 CXCR4 (0.51) CXCR4HRH3ALDH1A1
SCHEMBL18768683 0.86 CXCR4 (0.51) CXCR4HRH3ALDH1A1
SCHEMBL23828678 0.84 CXCR4 (0.50) CXCR4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4664597-B2 2011-04-06 JP claimed
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP claimed
EP-1786265-A4 NOVEL COMPOSITIONS AND METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2009-08-19 EP claimed
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 CN claimed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US claimed
WO-2008153701-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-12-18 WO claimed
EP-1692112-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
CN-101103023-A Disubstituted ureas as kinase inhibitors NOVARTIS AG (CH) 2008-01-09 CN claimed
US-20070207996-A1 Novel Compositions And Methods Of Treatment CYTOKINETICS, INCORPORATED 2007-09-06 US claimed
EP-1594849-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2007-07-04 EP claimed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed
WO-2001023887-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
WO-2000069849-A1 PYRAZOLE CARBOXAMIDES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-23 WO claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-5668165-A TREATMENT OF HIV INFECTIONS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-16 US claimed
US-4624698-A Herbicidal tetrahydrobenzothiazolyl-1,3,5-triazinone derivatives and compositions thereof KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070207996-A1 Novel Compositions And Methods Of Treatment KIF5B, KIF5C, PLK1 CXCR4 3842/4885HRH3 3031/4885ALDH1A1 3671/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CXCR4 3728/4885HRH3 3854/4885ALDH1A1 2715/4885

“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.