SCHEMBL528737

SCHEMBL528737

CCOC(=O)c1cnc2ccc(Br)cc2c1N(C)C1CCCC(CN)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
JAK3 P52333 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
AURKB Q96GD4 2/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
JAK1 P23458 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.42
PDE4B Q07343 1/20 0.42
MAPK10 P53779 1/20 0.39
DYRK1A Q13627 1/20 0.38
MELK Q14680 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL27907353 0.88 HTT (0.37) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL15191075 0.83 RXFP1 (0.55) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL529303 0.83 RXFP1 (0.52) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL529843 0.82 RXFP1 (0.52) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL528738 0.81 MAPK1 (0.62) RXFP1GAANPSR1MAPK1MEN1
SCHEMBL531700 0.79 MAPK1 (0.62) RXFP1GAANPSR1MAPK1MEN1
SCHEMBL529799 0.79 MAPK1 (0.49) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL15190695 0.77 MEN1 (0.57) RXFP1GAANPSR1MAPK1MEN1
SCHEMBL529172 0.75 MAPK1 (0.61) RXFP1GAANPSR1JAK3MAPK1
SCHEMBL529171 0.75 MAPK1 (0.61) RXFP1GAANPSR1JAK3MAPK1

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 4 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-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 RXFP1 4310/4885GAA 2876/4885NPSR1 3867/4885

“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.