SCHEMBL531233

SCHEMBL531233

CCNc1c(C(=O)OCC)cnc2ccc(Br)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.81
GAA P10253 4/20 0.78
RXFP1 Q9HBX9 3/20 0.78
NPSR1 Q6W5P4 3/20 0.78
AURKB Q96GD4 2/20 0.63
AURKA O14965 1/20 0.63
MAPT P10636 8/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HPGD P15428 4/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.57
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL23234973 0.89 MAPK1 (0.76) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL529841 0.87 MAPK1 (0.79) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL18632010 0.86 GAA (0.75) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL23634709 0.86 MAPK1 (0.71) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL10322395 0.86 GAA (0.81) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL15190879 0.86 MAPK1 (0.71) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL529439 0.86 MAPK1 (0.77) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL15191149 0.85 MAPK1 (0.79) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL10679446 0.85 MAPK1 (0.70) MAPK1GAARXFP1NPSR1AURKB
SCHEMBL15190765 0.85 MAPK1 (0.70) MAPK1GAARXFP1NPSR1AURKB

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 537/4885GAA 2876/4885RXFP1 4310/4885

“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.