SCHEMBL529480

SCHEMBL529480

N[C@H]1CC[C@H](Nc2ccnc3ccc(-c4ccc(O)cc4)cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MELK Q14680 12/20 0.59
MAPKAPK2 P49137 2/20 0.52
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
KMT5B Q4FZB7 1/20 0.45
KMT5C Q86Y97 1/20 0.45
SSTR2 P30874 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL529479 1.00 MELK (0.59) MELKMAPKAPK2RAF1BRAFKMT5B
SCHEMBL12504787 0.79 MELK (0.57) MELKSSTR2
SCHEMBL12504789 0.79 MELK (0.57) MELKSSTR2
SCHEMBL15190591 0.77 MELK (0.69) MELK
SCHEMBL15190592 0.77 MELK (0.69) MELK
SCHEMBL9073082 0.77 KMT5B (0.62) MAPKAPK2KMT5BKMT5CDYRK1ADYRK1B
SCHEMBL4752616 0.77 HTR1A (0.57) KMT5BKMT5C
SCHEMBL4752575 0.77 USP2 (0.46) MELKKMT5BKMT5CSMYD3DYRK1A
SCHEMBL20292951 0.76 DYRK1A (0.75) MELKMAPKAPK2DYRK1ADYRK1B
SCHEMBL20292861 0.76 DYRK1A (0.75) MELKMAPKAPK2DYRK1ADYRK1B

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
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
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN 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 1/4885MAPKAPK2 33/4885RAF1 135/4885

“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.