SCHEMBL6520649

SCHEMBL6520649

OCc1ccccc1-c1cn[nH]c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.50
AKT1 P31749 1/20 0.50
ROCK2 O75116 12/20 0.49
ROCK1 Q13464 9/20 0.49
PDK2 Q15119 1/20 0.44
BCL2L1 Q07817 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
FEN1 P39748 1/20 0.40

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
SCHEMBL7256906 0.82 TRPA1 (0.55) AKT2AKT1ROCK2ROCK1BCL2L1
SCHEMBL30332929 0.82 DPP4 (0.55) AKT2AKT1ROCK2ROCK1PDK2
SCHEMBL28552255 0.79 AKT2 (0.72) AKT2AKT1ROCK2PDK2ADRA1D
SCHEMBL3911134 0.76 AKT2 (0.55) AKT2AKT1ROCK2ROCK1PDK2
SCHEMBL30823569 0.75 AKT2 (0.59) AKT2AKT1ROCK2ROCK1PDK2
SCHEMBL30823568 0.75 AKT2 (0.59) AKT2AKT1ROCK2ROCK1PDK2
Hydrochloric Acid SCHEMBL23291032 0.74 AKT2 (0.53) AKT2AKT1ROCK2ROCK1PDK2
Hydrochloric Acid SCHEMBL30549522 0.74 AKT2 (0.53) AKT2AKT1ROCK2ROCK1PDK2
SCHEMBL117091 0.74 PDCD1 (0.65) PDK2BCL2L1PDCD1CD274
SCHEMBL30826353 0.74 PDCD1 (0.65) PDK2BCL2L1PDCD1CD274

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-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 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-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 AKT2 1588/4885AKT1 2331/4885ROCK2 2986/4885

“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.