SCHEMBL236145

SCHEMBL236145

C1COCC(N2CCOCC2)[N]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL687735 0.87
SCHEMBL7596747 0.87
SCHEMBL1986505 0.85
SCHEMBL2767649 0.85
SCHEMBL3258955 0.82
SCHEMBL988606 0.82
SCHEMBL1744327 0.82
SCHEMBL6494250 0.75
SCHEMBL170248 0.74 SMN1; SMN2 (0.33) CYP2A13ALDH1A1HPGD
SCHEMBL948434 0.72 ALDH1A1 (0.32) CYP2A13ALDH1A1HPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-20120000533-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID OR A SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2012-01-05 US disclosed
EP-2030971-B1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2011-10-12 EP disclosed
US-20110224194-A1 Staurosporine Derivatives as Inhibitors of FLT3 Receptor Tyrosine Kinase Activity NOVARTIS PHARMACEUTICALS CORPORATION 2011-09-15 US disclosed
US-7973032-B2 Staurosporine derivatives for use in alveolar rhabdomyosarcoma UNIVERSITY OF ZURICH (DE) 2011-07-05 US disclosed
US-7973031-B2 Leukemia therapy ;myelodyspastic syndrome NOVARTIS AG (CH) 2011-07-05 US disclosed
EP-2305265-A1 Combinations comprising staurosporines Novartis AG (CH) 2011-04-06 EP disclosed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
US-20100184820-A1 COMBINATIONS COMPRISING STAUROSPORINES NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-06-24 US disclosed
US-7557101-B2 4,5,6,7-tetrahydro-thieno[3,2-c] pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-2030971-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-03-04 EP disclosed
US-20080146559-A1 4,5,6,7-Tetrahydro-Thieno [2,3-C] Pyridine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
US-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HOFFMANN-LA ROCHE, INC. 2008-06-19 US disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 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 (6 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-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF HCN1, HCN3, HCN2 CYP2A13 1824/4885ALDH1A1 3569/4885HPGD 1331/4885
US-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HRH4, HRH3, HRH2 CYP2A13 517/4885ALDH1A1 362/4885HPGD 622/4885
US-20110224194-A1 Staurosporine Derivatives as Inhibitors of FLT3 Receptor Tyrosine Kinase Activity FLT3, MCL1, STK25 CYP2A13 4601/4885ALDH1A1 4308/4885HPGD 2846/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CYP2A13 2145/4885ALDH1A1 1272/4885HPGD 1882/4885
US-20080146559-A1 4,5,6,7-Tetrahydro-Thieno [2,3-C] Pyridine Derivatives HRH4, HRH3, HRH2 CYP2A13 521/4885ALDH1A1 364/4885HPGD 609/4885
US-20100184820-A1 COMBINATIONS COMPRISING STAUROSPORINES MCL1, FLT3, BCL3 CYP2A13 4795/4885ALDH1A1 2704/4885HPGD 3769/4885

“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.