SCHEMBL12384243

SCHEMBL12384243

CC(C)C1CCCCN(C(=O)CC#N)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.39
JAK3 P52333 14/20 0.39
JAK1 P23458 8/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
TYK2 P29597 3/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13740949 0.95 ALDH1A1 (0.42) JAK2JAK3JAK1MEN1ALDH1A1
SCHEMBL12384552 0.95 ALDH1A1 (0.42) JAK2JAK3JAK1MEN1ALDH1A1
SCHEMBL19229730 0.81 EPHX2 (0.46) MEN1ALDH1A1MAPTKMT2A
SCHEMBL12424461 0.80 ALDH1A1 (0.57) CTSBCTSSCTSKMEN1ALDH1A1
SCHEMBL20937371 0.80 EPHX2 (0.49) MEN1ALDH1A1MAPTKMT2A
SCHEMBL23204332 0.78 CHRNB2 (0.42)
SCHEMBL23513629 0.78 KDM5A (0.43) JAK2JAK3JAK1CTSKTYK2
SCHEMBL15827186 0.76 EPHX2 (0.44) MEN1ALDH1A1MAPTKMT2A
SCHEMBL24844030 0.76 ALDH1A1 (0.44) JAK2JAK3JAK1MEN1ALDH1A1
SCHEMBL12384822 0.76 EPHX2 (0.44) MEN1ALDH1A1MAPTKMT2A

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK2 122/4885JAK3 780/4885JAK1 434/4885

“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.