SCHEMBL531700

SCHEMBL531700

CCOC(=O)c1cnc2ccc(Br)cc2c1N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
RXFP1 Q9HBX9 3/20 0.60
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 2/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
AURKB Q96GD4 2/20 0.53
AURKA O14965 1/20 0.53
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRB2 P47870 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL15191075 0.85 RXFP1 (0.55) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL10681872 0.85 MEN1 (0.55) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL23634709 0.85 MAPK1 (0.71) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL529424 0.84 MAPK1 (0.66) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL401916 0.82 MAPK1 (0.65) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL439271 0.82 MAPK1 (0.65) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL529303 0.82 RXFP1 (0.52) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL529843 0.81 RXFP1 (0.52) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL23234973 0.81 MAPK1 (0.76) MAPK1RXFP1GAANPSR1MEN1
SCHEMBL529799 0.80 MAPK1 (0.49) MAPK1RXFP1GAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 MAPK1 537/4885RXFP1 4310/4885GAA 2876/4885

“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.