SCHEMBL3728817

SCHEMBL3728817

COc1cc2c(cc1OC(=O)N(C)C)c(=O)n(CCN(C)C)c1c3cc4c(cc3ncc21)OCO4

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 12/20 0.60
JAK2 O60674 4/20 0.49
JAK1 P23458 4/20 0.49
JAK3 P52333 4/20 0.49
TYK2 P29597 3/20 0.49
BRD4 O60885 1/20 0.41
TDP2 O95551 1/20 0.37
NUAK1 O60285 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
NUAK2 Q9H093 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP1 P11387 1/20 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
SCHEMBL3721877 0.92 TDP1 (0.61) TDP1JAK2JAK1JAK3TYK2
SCHEMBL29360706 0.92 TDP1 (0.69) TDP1JAK2JAK1JAK3TYK2
SCHEMBL241242 0.92 TDP1 (0.69) TDP1JAK2JAK1JAK3TYK2
SCHEMBL12457216 0.91 TDP1 (0.51) TDP1JAK2JAK1JAK3TYK2
SCHEMBL3721281 0.90 TDP1 (0.57) TDP1JAK2JAK1JAK3TYK2
SCHEMBL3720038 0.90 TDP1 (0.59) TDP1JAK2JAK1JAK3TYK2
SCHEMBL3722720 0.90 TDP1 (0.58) TDP1JAK2JAK1JAK3TYK2
SCHEMBL19456979 0.89 TDP1 (0.56) TDP1JAK2JAK1JAK3TYK2
SCHEMBL3721285 0.89 TDP1 (0.57) TDP1JAK2JAK1JAK3TYK2
SCHEMBL3722560 0.88 TDP1 (0.58) TDP1JAK2JAK1JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321781-B2 Topoisomerase inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-26 US claimed
US-20120237531-A1 TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-09-20 US claimed
WO-2010127363-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO claimed
WO-2010127360-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO claimed
US-9321781-B2 Topoisomerase inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-26 US disclosed
US-9321781-B2 Topoisomerase inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-26 US disclosed
US-20120237531-A1 TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-09-20 US disclosed
US-20120237531-A1 TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-09-20 US disclosed
WO-2010127363-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127360-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127363-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127360-A1 TOPOSIOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (1 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-20120237531-A1 TOPOISOMERASE INHIBITORS TOP1, TOP2A, TOP2B TDP1 10/4885JAK2 1816/4885JAK1 2024/4885

“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.