SCHEMBL530838

SCHEMBL530838

CC(C)(C)OC(=O)NC1CCN(c2ncc(N)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.54
SKP1 P63208 1/20 0.54
SKP2 Q13309 1/20 0.54
GPR119 Q8TDV5 1/20 0.45
CTSK P43235 2/20 0.45
MAP4K4 O95819 2/20 0.45
PDE10A Q9Y233 2/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
KCNA3 P22001 1/20 0.43
PARP1 P09874 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
MERTK Q12866 1/20 0.42
JAK1 P23458 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DRD2 P14416 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
SCHEMBL15191231 0.93 MAP4K4 (0.50) CKS1BSKP1SKP2CTSKMAP4K4
SCHEMBL27033391 0.90 CKS1B (0.54) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL21564356 0.89 CKS1B (0.55) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL23339865 0.88 CKS1B (0.54) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL20064248 0.88 CKS1B (0.54) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL16197180 0.88 CKS1B (0.54) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL529726 0.86 MAP4K4 (0.58) CTSKMAP4K4PDE10AJAK3BTK
SCHEMBL4954279 0.86 GPR119 (0.61) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL15022923 0.85 CKS1B (0.55) CKS1BSKP1SKP2GPR119CTSK
SCHEMBL25175510 0.85 CKS1B (0.53) CKS1BSKP1SKP2GPR119CTSK

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 5 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

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.