SCHEMBL18355262

SCHEMBL18355262

CC(C)(C)Oc1ccccc1-c1cn[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.47
AKT2 P31751 1/20 0.47
ROCK2 O75116 14/20 0.43
ROCK1 Q13464 13/20 0.43
PDK2 Q15119 1/20 0.43
TRPA1 O75762 1/20 0.43
LRRK2 Q5S007 1/20 0.39
FEN1 P39748 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
BRAF P15056 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38

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
SCHEMBL2581867 0.81 METAP2 (0.53) AKT1AKT2ROCK2ROCK1
SCHEMBL17030742 0.77 TRPA1 (0.56) AKT1AKT2ROCK2ROCK1PDK2
SCHEMBL8017279 0.76 HTR7 (0.46)
SCHEMBL12355661 0.75 CA12 (0.39)
SCHEMBL27515199 0.74 HTR7 (0.44)
SCHEMBL17276860 0.73 AKT2 (0.56) AKT1AKT2ROCK2ROCK1
SCHEMBL105445 0.73 AKT1 (0.55) AKT1AKT2ROCK2ROCK1PDK2
SCHEMBL5380089 0.73 AKT1 (0.55) AKT1AKT2ROCK2ROCK1PDK2
SCHEMBL27344682 0.73 HTR7 (0.43)
SCHEMBL30823568 0.72 AKT2 (0.59) AKT1AKT2ROCK2ROCK1PDK2

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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 AKT1 3204/4885AKT2 3118/4885ROCK2 1482/4885

“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.