SCHEMBL19984605

SCHEMBL19984605

CC(C)(Cc1cnc(N)[nH]1)OC(=O)NCCCn1nccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
AOC3 Q16853 3/20 0.32
MAOB P27338 2/20 0.32
BRD4 O60885 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
DRD2 P14416 2/20 0.31
CYP3A4 P08684 1/20 0.31
PDPK1 O15530 1/20 0.31
CCNB2 O95067 1/20 0.31
PRKCB P05771 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL19977078 0.80 DYRK1A (0.45) CSNK2A2CSNK2A1DYRK1ASTK17BSTK17A
SCHEMBL25660895 0.69 KDM4E (0.33) CSNK2A2CSNK2A1DYRK1ACA12CA1
SCHEMBL19970366 0.69 MAPK1 (0.41)
SCHEMBL31646524 0.67 DRD2 (0.46) CSNK2A2CSNK2A1DYRK1ASTK17BSTK17A
SCHEMBL16245608 0.62 TDP1 (0.44) STK17BSTK17AMAOBBRD4CA12
SCHEMBL31539458 0.61 NPC1 (0.50) CYP3A4
SCHEMBL30861067 0.61 KDM4E (0.46) CSNK2A2CSNK2A1BRD4CA12CA1
SCHEMBL30861020 0.61 KDM4E (0.46) CSNK2A2CSNK2A1BRD4CA12CA1
SCHEMBL19977121 0.61 CSNK2A2 (0.38) CSNK2A2CSNK2A1DYRK1ASTK17BSTK17A
SCHEMBL1630312 0.60 MAPK1 (0.50) DYRK1ASTK17BSTK17ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 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-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 CSNK2A2 186/4885CSNK2A1 244/4885DYRK1A 3503/4885

“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.