SCHEMBL15199650

SCHEMBL15199650

CCCC(=O)c1cnc2ccc(Br)cc2c1N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 14/20 0.51
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MERTK Q12866 1/20 0.41

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
SCHEMBL15199664 0.90 MELK (0.53) MELKMAPK1GAANPSR1RXFP1
SCHEMBL10282356 0.89 MELK (0.51) MELKTSHRHTT
SCHEMBL15192171 0.89 MELK (0.51) MELKTSHRHTT
SCHEMBL15190982 0.88 MELK (0.51) MELK
SCHEMBL15190983 0.88 MELK (0.51) MELK
SCHEMBL15191720 0.88 MELK (0.51) MELK
SCHEMBL15191331 0.87 MELK (0.56) MELKMAPK1GAANPSR1RXFP1
SCHEMBL15191333 0.87 MELK (0.56) MELKMAPK1GAANPSR1RXFP1
SCHEMBL15191194 0.86 MELK (0.51) MELKGAANPSR1RXFP1
SCHEMBL15191196 0.86 MELK (0.51) MELKGAANPSR1RXFP1

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 2 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 — — US 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 1/4885MAPK1 537/4885GAA 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.

Send feedback