SCHEMBL240477

SCHEMBL240477

c1cc(NCC2CCCO2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47

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
SCHEMBL1945780 1.00 CLK1 (0.53) CLK1CLK2CLK3DYRK1ACLK4
SCHEMBL243637 0.81 CLK1 (0.48) CLK1CLK2CLK3DYRK1ACLK4
SCHEMBL243171 0.76 BUB1 (0.37) CLK1CLK2CLK3DYRK1ACLK4
SCHEMBL13993581 0.76 PDE5A (0.44) CLK1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL241335 0.74 HTR1A (0.44) HPGDRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4986900 0.72 HTR1A (0.49) UTS2R
SCHEMBL242703 0.71 HRH3 (0.60) HPGDKMT2AMEN1POLBLMNA
SCHEMBL241983 0.71 FERMT2 (0.51) HPGDHSD17B10RAB9ASMN1; SMN2ALDH1A1
SCHEMBL241245 0.70 CYP3A4 (0.41) HPGDKMT2AMEN1PDE5APOLB
SCHEMBL1675197 0.70 CLK4 (1.00) CLK1CLK2CLK3DYRK1ACLK4

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 CLK1 3870/4885CLK2 3016/4885CLK3 3250/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B CLK1 3870/4885CLK2 3016/4885CLK3 3250/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 CLK1 4118/4885CLK2 3495/4885CLK3 3294/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B CLK1 3870/4885CLK2 3016/4885CLK3 3250/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B CLK1 3870/4885CLK2 3016/4885CLK3 3250/4885

“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.