SCHEMBL22500967

SCHEMBL22500967

COc1c(NC(C)=O)ccc2c(Nc3cccc(O)c3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 3/20 0.48
▸ BRAF P15056 3/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ PKMYT1 Q99640 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ EGFR P00533 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ PTK6 Q13882 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ AURKC Q9UQB9 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ RET P07949 2/20 0.43
▸ TOP2A P11388 6/20 0.43
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 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
SCHEMBL22500884 0.88 TOP2A (0.52) EGFRATMTOP2AGAAMAPT
SCHEMBL16171228 0.88 TOP2A (0.43) CYP1A2ALKATMTOP2AMAPT
SCHEMBL16171227 0.88 CDC25B (0.53) GAA
SCHEMBL22500914 0.87 TOP2A (0.47) ALDH1A1ATMTOP2AGAAMAPT
SCHEMBL22500935 0.81 TOP2A (0.46) AURKAATMTOP2ACDK2GAK
SCHEMBL16171223 0.80 MAOA (0.46) ERBB2EGFRTOP2AMAPTFLT1
SCHEMBL22500986 0.79 TOP2A (0.53) BRAFCYP1A2AURKATOP2AKDR
SCHEMBL22500996 0.77 TOP2A (0.59) BRAFATMTOP2A
SCHEMBL16171230 0.77 PIK3CA (0.47) ATMRETTOP2AMTNR1AMTNR1B
SCHEMBL22500883 0.77 TOP2A (0.67) ERBB2TOP2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291502-B2 Topoisomerase II-alpha inhibitors and methods of treating cancer using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-05-06 — — US disclosed
US-20230105776-A1 Topoisomerase II-alpha Inhibitors and Methods of Treating Cancer Using the Same UNITED STATES GOVERNMENT 2023-04-06 — — US disclosed
WO-2020205991-A1 TOPOISOMERASE II-alpha INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-10-08 — — 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 (2 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-20230105776-A1 Topoisomerase II-alpha Inhibitors and Methods of Treating Cancer Using the Same TOP2A, TOP1, TOP2B ERBB2 3903/4885BRAF 1511/4885RAF1 2292/4885
US-12291502-B2 Topoisomerase II-alpha inhibitors and methods of treating cancer using the same TOP2A, TOP1, TOP2B ERBB2 3903/4885BRAF 1511/4885RAF1 2292/4885

“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.

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