SCHEMBL529272

SCHEMBL529272

CCOC(=O)c1cnc2ccc(Br)cc2c1N1CCCC(C(N)=O)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
USP2 O75604 1/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
NPSR1 Q6W5P4 6/20 0.54
ALDH1A1 P00352 5/20 0.54
TAAR1 Q96RJ0 1/20 0.54
MAPK1 P28482 2/20 0.53
MAPK10 P53779 1/20 0.52
GAA P10253 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
TP53 P04637 2/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.46
AURKB Q96GD4 1/20 0.46
HTT P42858 1/20 0.46
CYP8B1 Q9UNU6 1/20 0.45

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
SCHEMBL15191414 0.89 TP53 (0.59) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL15191243 0.84 MEN1 (0.50) MAPTUSP2MEN1KMT2ANPSR1
SCHEMBL529309 0.83 MEN1 (0.59) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL15190695 0.81 MEN1 (0.57) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4587494 0.79 RXFP1 (0.66) MAPTUSP2MEN1KMT2ANPSR1
SCHEMBL15191218 0.78 MEN1 (0.55) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL530165 0.78 MELK (0.57) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL529799 0.74 MAPK1 (0.49) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12505010 0.74 TP53 (0.53) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL27907417 0.73 CHRNB2 (0.46) MAPTUSP2MEN1KMT2ANPSR1

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 9 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
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 MAPT 2791/4885USP2 2765/4885MEN1 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.