SCHEMBL529391

SCHEMBL529391

CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1NCCCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
KDM4E B2RXH2 4/20 0.65
MEN1 O00255 3/20 0.65
GAA P10253 2/20 0.65
TP53 P04637 2/20 0.61
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 3/20 0.59
CYP1A2 P05177 1/20 0.57
RAD52 P43351 2/20 0.57
POLB P06746 2/20 0.57
UHRF1 Q96T88 1/20 0.57
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL15190678 0.91 MAPT (0.71) KMT2AKDM4EMEN1GAATP53
SCHEMBL13692670 0.87 KMT2A (0.69) KMT2AKDM4EMEN1GAATP53
SCHEMBL10282420 0.86 MAPK1 (0.78) KMT2AKDM4EMEN1GAATP53
SCHEMBL15191289 0.85 KMT2A (0.89) KMT2AKDM4EMEN1GAATP53
SCHEMBL15191149 0.85 MAPK1 (0.79) KMT2AKDM4EMEN1GAATP53
SCHEMBL529390 0.84 KMT2A (0.64) KMT2AKDM4EMEN1GAATP53
SCHEMBL530155 0.82 KMT2A (0.78) KMT2AKDM4EMEN1GAATP53
SCHEMBL20435746 0.82 KMT2A (0.65) KMT2AKDM4EMEN1GAATP53
SCHEMBL15190668 0.82 KMT2A (0.66) KMT2AKDM4EMEN1GAATP53
SCHEMBL15190748 0.81 KMT2A (0.65) KMT2AKDM4EMEN1GAATP53

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 KMT2A 551/4885KDM4E 1041/4885MEN1 543/4885

“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.