SCHEMBL528977

SCHEMBL528977

CN(C)CCCNc1c(C(=O)c2cccs2)cnc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.47
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
SLC6A9 P48067 2/20 0.40
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL15190650 0.86 MAPK1 (0.51) KMT2AKDM4EMEN1GAAPOLB
SCHEMBL529115 0.85 MELK (0.51) MELKKMT2AKDM4EMEN1GAA
SCHEMBL17450160 0.85 MELK (0.60) MELK
SCHEMBL530333 0.84 MELK (0.52) MELKKMT2AKDM4EMEN1GAA
SCHEMBL528829 0.83 MELK (0.40) MELKKMT2AATMSLC6A9POLB
SCHEMBL529565 0.81 MELK (0.48) MELKKMT2AKDM4EMEN1GAA
SCHEMBL530078 0.81 KMT2A (0.44) MELKKMT2AKDM4EMEN1GAA
SCHEMBL15190668 0.81 KMT2A (0.66) KMT2AKDM4EMEN1GAAPOLB
SCHEMBL531008 0.79 KMT2A (0.46) MELKKMT2AKDM4EMEN1GAA
SCHEMBL529627 0.79 MELK (0.54) 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
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 MELK 1/4885KMT2A 551/4885KDM4E 1041/4885

“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.