SCHEMBL12384653

SCHEMBL12384653

CC(C)(C)C1CN(C(=O)CC#N)CCC1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.39
JAK3 P52333 11/20 0.39
ROCK1 Q13464 3/20 0.39
PKN2 Q16513 3/20 0.39
LRRK2 Q5S007 3/20 0.39
LCK P06239 2/20 0.39
RET P07949 2/20 0.39
KDR P35968 2/20 0.39
CAMK1D Q8IU85 2/20 0.39
PRKACA P17612 1/20 0.39
LTK P29376 1/20 0.39
GSK3A P49840 1/20 0.39
PRKX P51817 1/20 0.39
JAK1 P23458 7/20 0.38
TYK2 P29597 4/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL23570855 0.84 JAK3 (0.43) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL15014550 0.81 JAK3 (0.43) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL12424335 0.79 JAK2 (0.38) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL18998477 0.77 JAK2 (0.41) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL16472333 0.76 MEN1 (0.38) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL19012676 0.76 JAK2 (0.36) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL12384397 0.75 KCNH2 (0.45) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL20878033 0.74 JAK2 (0.39) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL17665066 0.74 JAK2 (0.39) JAK2JAK3ROCK1PKN2LRRK2
SCHEMBL12384390 0.74 ALDH1A1 (0.48) JAK2JAK3JAK1TYK2KCNH2

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 2 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

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 780/4885ROCK1 1713/4885

“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.