SCHEMBL10324741

SCHEMBL10324741

CC(C)(C)OC(=O)N[C@H](CCN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 4/20 0.52
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 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
SCHEMBL1231758 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL21219239 1.00 CTSK (0.52) CTSKCTSSMAPTATMCTSL
Hydrochloric Acid SCHEMBL27316216 0.99 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL24876855 0.92 CTSK (0.50) CTSKCTSSMAPTATMCTSL
Acetic Acid SCHEMBL1643722 0.89 CTSK (0.52) CTSKCTSSMAPTATMCTSL
SCHEMBL118081 0.88 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL14923573 0.88 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL3755737 0.88 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL27351561 0.88 CTSK (0.49) CTSKCTSSATM
SCHEMBL4583120 0.87 CTSK (0.53) CTSKCTSSMAPTATMCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD CTSK 2557/4885CTSS 1322/4885MAPT 34/4885

“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.