Sugi Predict

Sugi Predict / Compounds / SCHEMBL237848

SCHEMBL237848

SCHEMBL237848

CN(C)CCNc1cnnc2cc3c(cc12)OCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ HTR1F P30939 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ NCF1 P14598 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37

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
SCHEMBL240465 0.88 KDM4E (0.39) KDM4EALDH1A1GAATDP1NQO2
SCHEMBL4988313 0.83 CLK1 (0.36) KDM4EALDH1A1GAA
SCHEMBL13993587 0.82 MPO (0.35) KDM4EALDH1A1TDP1POLBNQO1
SCHEMBL241983 0.80 FERMT2 (0.51) RETHTR1ANCF1KDM4EALDH1A1
SCHEMBL12861068 0.78 ALDH1A1 (0.44) KDM4EALDH1A1TDP1KDRPOLB
SCHEMBL242255 0.78 ACHE (0.44) RETKDM4EALDH1A1L3MBTL1HSP90AB1
SCHEMBL240609 0.77 ACHE (0.46) RETKDM4EALDH1A1HSP90AB1ACP1
SCHEMBL13996245 0.73 KMT2A (0.37) KDM4EALDH1A1GAAL3MBTL1TDP1
SCHEMBL243582 0.72 FERMT2 (0.61) RETHTR1AKDM4EKDR
SCHEMBL4912943 0.72 NCF1 (0.59) HTR1ANCF1KDM4EALDH1A1GAA

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 24 patents — showing the first 20. 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
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-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
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
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 — — US 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-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 RET 4500/4885HTR2C 3960/4885HTR3E 3535/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B RET 4500/4885HTR2C 3960/4885HTR3E 3535/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 RET 277/4885HTR2C 3392/4885HTR3E 2718/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B RET 4500/4885HTR2C 3960/4885HTR3E 3535/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B RET 4500/4885HTR2C 3960/4885HTR3E 3535/4885

“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.