SCHEMBL528657

SCHEMBL528657

CN(C)CCCNc1c(C(=O)NCCN2CCNCC2)cnc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.54
HASPIN Q8TF76 1/20 0.41
HTR4 Q13639 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
TERT O14746 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL529565 0.84 MELK (0.48) MELKKDM4EMAPK1GAA
SCHEMBL529420 0.83 MELK (0.52) MELK
SCHEMBL17450160 0.81 MELK (0.60) MELK
SCHEMBL529115 0.81 MELK (0.51) MELKKDM4EMAPK1GAA
SCHEMBL529756 0.81 MELK (0.42) MELKKDM4EGAA
SCHEMBL530333 0.80 MELK (0.52) MELKKDM4EGAA
SCHEMBL529627 0.78 MELK (0.54) MELK
SCHEMBL529626 0.78 MELK (0.54) MELK
SCHEMBL529403 0.78 MELK (0.57) MELK
SCHEMBL529402 0.78 MELK (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP 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
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 MELK 1/4885HASPIN 1803/4885HTR4 2310/4885

“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.