SCHEMBL644835

SCHEMBL644835

C[CH]CCCN(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHRM1 P11229 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA1A P35348 2/20 0.32
OPRM1 P35372 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL8527545 0.92 SIGMAR1 (0.38) SIGMAR1ALDH1A1SLC2A1MEN1POLB
SCHEMBL1807352 0.82
SCHEMBL11254952 0.81
SCHEMBL8394505 0.81 CA12 (0.34) ALDH1A1MEN1KMT2ANPSR1KCNH2
SCHEMBL23451757 0.80 SIGMAR1 (0.35) SIGMAR1ALDH1A1SLC2A1MEN1POLB
SCHEMBL23451783 0.78 SIGMAR1 (0.34) SIGMAR1ALDH1A1SLC2A1MEN1POLB
SCHEMBL23451565 0.78 SIGMAR1 (0.34) SIGMAR1ALDH1A1SLC2A1MEN1POLB
SCHEMBL3401452 0.77 NPSR1 (0.35) ALDH1A1MEN1KMT2ANPSR1PAOX
SCHEMBL4728852 0.76 TSHR (0.50) SIGMAR1ALDH1A1SLC2A1MEN1POLB
SCHEMBL1612094 0.76 ALDH1A1 (0.33) SIGMAR1ALDH1A1SLC2A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US claimed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
JP-4664597-B2 2011-04-06 JP claimed
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP claimed
CN-100491358-C Pyrimidinone compounds, compositions and methods CYTOKINETICS INC SMITHKLINE BE (US) 2009-05-27 CN claimed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US 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-1413198-A Methods and compositions using quinazolinones CYTOKINETICS INC (US) 2003-04-23 CN claimed
EP-1296959-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2003-04-02 EP claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
WO-2001030768-A9 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS INC (US) 2002-08-15 WO claimed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP claimed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
WO-2001016115-A1 PROCESS FOR SYNTHESIZING ISOXAZOLIDINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-03-08 WO claimed
WO-2001016116-A1 PROCESS FOR SYNTHESIZING ISOXAZOLINES AND ISOXAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-03-08 WO 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 (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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 SIGMAR1 995/4885ALDH1A1 2307/4885SLC2A1 4382/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 SIGMAR1 995/4885ALDH1A1 2307/4885SLC2A1 4382/4885
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 SIGMAR1 3229/4885ALDH1A1 599/4885SLC2A1 4723/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 SIGMAR1 4570/4885ALDH1A1 2715/4885SLC2A1 2542/4885

“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.