SCHEMBL528999

SCHEMBL528999

CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
GAA P10253 5/20 0.78
TP53 P04637 3/20 0.78
LMNA P02545 3/20 0.68
HTT P42858 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MC4R P32245 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
PTK2B Q14289 1/20 0.68
AURKB Q96GD4 2/20 0.65
AURKA O14965 1/20 0.65
MAPK1 P28482 2/20 0.64
PAX8 Q06710 1/20 0.63
CLK1 P49759 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57

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
SCHEMBL528932 0.90 MAPT (0.80) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL529114 0.90 AURKB (0.66) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL529795 0.90 MAPT (0.69) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL529455 0.89 TP53 (0.72) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL31393501 0.88 MAPT (1.00) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL23494034 0.87 MAPT (0.74) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL31307855 0.87 MAPT (0.74) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL529953 0.87 MAPT (0.67) MAPTSMN1; SMN2GAATP53LMNA
SCHEMBL15191312 0.86 TP53 (0.67) MAPTSMN1; SMN2GAATP53HTT
SCHEMBL27925387 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2GAATP53LMNA

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 7 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-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
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 MAPT 2791/4885SMN1; SMN2 4148/4885GAA 2876/4885

“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.