SCHEMBL1256232

SCHEMBL1256232

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(NCCN3CCC(F)(F)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.51
CYP17A1 P05093 3/20 0.43
DRD2 P14416 4/20 0.41
MAP4K4 O95819 1/20 0.41
JAK2 O60674 1/20 0.41
NAMPT P43490 1/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PSMB8 P28062 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
FRK P42685 1/20 0.39
BLK P51451 1/20 0.39
PTK6 Q13882 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL14674382 0.88 CD274 (0.67) CD274CYP17A1JAK2FYNKDR
SCHEMBL1257965 0.85 DRD2 (0.43) DRD2FYNACHEADRA1ADRD3
SCHEMBL1255250 0.80 FLT3 (0.55) RETKDR
SCHEMBL14674154 0.77 FLT3 (0.52) RETKDR
SCHEMBL9958722 0.77 SIGMAR1 (0.45) DRD2FYNACHEADRA1ADRD3
SCHEMBL1256469 0.76 SIGMAR1 (0.41) CD274DRD2FYNACHEADRA1A
Hydrochloric Acid SCHEMBL1256889 0.75 DRD2 (0.44) DRD2MAP4K4FYNACHEADRA1A
SCHEMBL1256817 0.74 RET (0.51) RETKDR
SCHEMBL1257631 0.72 CD274 (0.63) CD274CYP17A1JAK2LCKFYN
SCHEMBL15686282 0.72 DRD2 (0.58) CD274DRD2JAK2

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
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R CD274 2612/4885CYP17A1 1971/4885DRD2 4626/4885

“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.