SCHEMBL528829

SCHEMBL528829

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 3/20 0.40
TRIM58 Q8NG06 3/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAD52 P43351 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
FLT3 P36888 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15190791 0.85 HIF1A (0.44) MELKATMKMT2AMAPT
SCHEMBL15190813 0.83 RAD52 (0.56) NPC1POLBSLC2A1APOBEC3ARAD52
SCHEMBL528977 0.83 MELK (0.47) MELKLMNAATMPOLBRAD52
SCHEMBL528976 0.82 MELK (0.39) MELKTRIM58NPC1POLBSLC2A1
SCHEMBL530078 0.79 KMT2A (0.44) MELKATMNPC1POLBSLC2A1
SCHEMBL15190679 0.78 TERT (0.43) MELKTRIM58HPGDNPC1POLB
SCHEMBL10281815 0.78 MELK (0.39) MELKTRIM58NPC1POLBSLC2A1
SCHEMBL529115 0.77 MELK (0.51) MELKTRIM58ATMKMT2AMAPK1
SCHEMBL17450160 0.77 MELK (0.60) MELK
SCHEMBL530333 0.77 MELK (0.52) MELKATMKMT2A

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 1/4885TRIM58 2969/4885LMNA 2106/4885

“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.