SCHEMBL243582

SCHEMBL243582

CN(C)CCCNc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.61
HTR1A P08908 7/20 0.46
ADRA1D P25100 7/20 0.46
ADRA1A P35348 7/20 0.46
ADRA1B P35368 7/20 0.46
CDK1 P06493 1/20 0.44
CCR1 P32246 1/20 0.44
SYK P43405 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 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
SCHEMBL241983 0.93 FERMT2 (0.51) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4986900 0.86 HTR1A (0.49) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL241335 0.83 HTR1A (0.44) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL241000 0.83 KDM4E (0.61) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL13993581 0.80 PDE5A (0.44) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL242002 0.79 NR4A2 (0.40) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL241926 0.77 HTR1A (0.40) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL242051 0.76 MEN1 (0.55) LMNA
Iomethin SCHEMBL11883123 0.76 FERMT2 (0.73) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4278808 0.76 FERMT2 (1.00) FERMT2CDK1CCR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US disclosed
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-09 US disclosed
EP-2286812-A1 Solubilized topoisomerase poisons Rutgers, The State University (US) 2011-02-23 EP disclosed
US-7781587-B2 antitumor; breast cancer; 8,9-Dimethoxy-2,3-methylenedioxy-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h]1,6-naphthyridin-6-one RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-24 US disclosed
WO-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO disclosed
EP-2196205-A1 Topoisomerase poisons Rutgers, The State University (US) 2010-06-16 EP disclosed
EP-1465625-B1 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2010-02-03 EP disclosed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US disclosed
US-7517883-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-7049315-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-05-23 US disclosed
US-20060052381-A1 Solubilized topoisomerase poisons LAVOIE EDMOND J 2006-03-09 US disclosed
EP-1465625-A4 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2005-06-08 EP disclosed
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 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-20050009824-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B FERMT2 4169/4885HTR1A 2063/4885ADRA1D 3047/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B FERMT2 4169/4885HTR1A 2063/4885ADRA1D 3047/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 FERMT2 4182/4885HTR1A 2786/4885ADRA1D 1895/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B FERMT2 4169/4885HTR1A 2063/4885ADRA1D 3047/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B FERMT2 4169/4885HTR1A 2063/4885ADRA1D 3047/4885

“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.