SCHEMBL241732

SCHEMBL241732

COc1cc2c(=O)n(CCN3CCCC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 0.51
ABCC1 P33527 1/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
NUAK1 O60285 1/20 0.41
NTRK1 P04629 1/20 0.41
FLT3 P36888 1/20 0.41
NUAK2 Q9H093 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
MAPK1 P28482 1/20 0.40
SRC P12931 2/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL239592 0.99 TDP1 (0.50) TDP1ABCC1JAK2JAK1TYK2
SCHEMBL241733 0.93 TDP1 (0.50) TDP1ABCC1JAK2JAK1TYK2
SCHEMBL19456961 0.88 TDP1 (0.54) TDP1ABCC1JAK2JAK1TYK2
SCHEMBL243088 0.88 MAPT (0.47) TDP1ABCC1KDM4EALDH1A1
SCHEMBL241835 0.87 TDP1 (0.53) TDP1ABCC1JAK2JAK1TYK2
SCHEMBL4988592 0.86 TDP1 (0.52) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4984289 0.86 TDP1 (0.51) TDP1JAK2JAK1TYK2JAK3
SCHEMBL29360706 0.85 TDP1 (0.69) TDP1JAK2JAK1TYK2JAK3
Genz-644282 SCHEMBL29632787 0.85 TDP1 (0.52) TDP1JAK2JAK1TYK2JAK3
Genz-644282 SCHEMBL241696 0.85 TDP1 (0.52) TDP1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO claimed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US claimed
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 claimed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US claimed
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
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
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
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 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 (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 TDP1 4/4885ABCC1 177/4885JAK2 4385/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885ABCC1 177/4885JAK2 4385/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 TDP1 2248/4885ABCC1 161/4885JAK2 411/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885ABCC1 177/4885JAK2 4385/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B TDP1 4/4885ABCC1 177/4885JAK2 4385/4885

“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.