SCHEMBL529052

SCHEMBL529052

CCOC(=O)c1cnc2ccc(Br)cc2c1NC1CCC(N(CC)CC)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.60
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPK1 P28482 2/20 0.60
MELK Q14680 8/20 0.56
AURKB Q96GD4 2/20 0.52
AURKA O14965 1/20 0.52
DYRK1A Q13627 2/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4B Q07343 1/20 0.47

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
SCHEMBL529053 1.00 RXFP1 (0.60) RXFP1GAANPSR1MAPK1MELK
SCHEMBL529705 0.89 MELK (0.70) MELK
SCHEMBL529812 0.89 MAPK1 (0.64) RXFP1GAANPSR1MAPK1MELK
SCHEMBL529813 0.89 MAPK1 (0.64) RXFP1GAANPSR1MAPK1MELK
SCHEMBL17272569 0.88 MAPK1 (0.66) RXFP1GAANPSR1MAPK1AURKB
SCHEMBL18843746 0.88 MAPK1 (0.66) RXFP1GAANPSR1MAPK1AURKB
SCHEMBL529026 0.88 MAPK1 (0.63) RXFP1GAANPSR1MAPK1MELK
SCHEMBL20515220 0.88 MAPK1 (0.63) RXFP1GAANPSR1MAPK1MELK
SCHEMBL15191132 0.88 MELK (0.70) MELK
SCHEMBL530891 0.88 MELK (0.70) MELK

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.