SCHEMBL529587

SCHEMBL529587

CC(C)(C)OC(=O)NC1CCN(c2cc(N)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.56
SKP1 P63208 1/20 0.56
SKP2 Q13309 1/20 0.56
OPRD1 P41143 5/20 0.49
MAP4K4 O95819 2/20 0.46
SUV39H2 Q9H5I1 3/20 0.45
PDE10A Q9Y233 1/20 0.45
CFTR P13569 1/20 0.44
RET P07949 1/20 0.44
SYK P43405 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
KCNH2 Q12809 1/20 0.43
SMO Q99835 1/20 0.43
BTK Q06187 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL21227887 0.86 CKS1B (0.53) CKS1BSKP1SKP2SUV39H2CFTR
SCHEMBL3780868 0.84 CKS1B (0.59) CKS1BSKP1SKP2OPRD1MAP4K4
SCHEMBL530038 0.84 CKS1B (0.61) CKS1BSKP1SKP2OPRD1MAP4K4
SCHEMBL649039 0.82 CKS1B (0.65) CKS1BSKP1SKP2OPRD1PDE10A
SCHEMBL5139583 0.82 CKS1B (0.54) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL23173694 0.82 CKS1B (0.51) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL7078995 0.81 PIK3CA (0.59) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL7239787 0.81 SYK (0.56) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL2273636 0.81 CKS1B (0.60) CKS1BSKP1SKP2OPRD1MAP4K4
SCHEMBL22246109 0.80 GAA (0.49) CKS1BSKP1SKP2OPRD1MAP4K4

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
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-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 CKS1B 216/4885SKP1 594/4885SKP2 100/4885

“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.