SCHEMBL530157

SCHEMBL530157

CCOC(=O)c1cnc2ccc(Br)cc2c1NCCCn1ccnc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.68
MAPK1 P28482 3/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAD52 P43351 1/20 0.53
PRNP P04156 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AURKB Q96GD4 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL23722616 0.95 MAPK1 (0.69) RXFP1MAPK1KDM4EGAANPSR1
SCHEMBL23235039 0.89 MAPK1 (0.72) RXFP1MAPK1KDM4EGAANPSR1
SCHEMBL23722603 0.86 TOP1 (0.62) RXFP1MAPK1KDM4EGAAHSD17B10
SCHEMBL23722637 0.85 RXFP1 (0.53) RXFP1MAPK1KDM4EGAAHSD17B10
SCHEMBL23235009 0.83 RXFP1 (0.85) RXFP1MAPK1KDM4EGAANPSR1
SCHEMBL529841 0.82 MAPK1 (0.79) RXFP1MAPK1KDM4EGAANPSR1
SCHEMBL529283 0.82 MAPK1 (0.78) RXFP1MAPK1KDM4EGAANPSR1
SCHEMBL23722625 0.81 EGFR (0.49) RXFP1MAPK1KDM4EHSD17B10PRNP
SCHEMBL23234992 0.81 RXFP1 (1.00) RXFP1MAPK1KDM4EHSD17B10MEN1
SCHEMBL15191149 0.81 MAPK1 (0.79) RXFP1MAPK1KDM4EGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-24 US disclosed
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-08-12 US disclosed
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-08-12 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 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 (3 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-12172991-B2 Bicycle topoisomerase i inhibiting compounds, process for preparation and use thereof TOP1, TOP2A, TOP2B RXFP1 4661/4885MAPK1 1850/4885KDM4E 2680/4885
US-20210246128-A1 BICYCLE TOPOISOMERASE I INHIBITING COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF TOP1, TOP2A, TOP2B RXFP1 4661/4885MAPK1 1850/4885KDM4E 2680/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 RXFP1 4310/4885MAPK1 537/4885KDM4E 1041/4885

“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.