SCHEMBL12424335

SCHEMBL12424335

CCC1CN(C(=O)CC#N)CCC1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.38
JAK1 P23458 10/20 0.38
JAK3 P52333 14/20 0.38
ROCK1 Q13464 3/20 0.38
PKN2 Q16513 3/20 0.38
LRRK2 Q5S007 3/20 0.38
LCK P06239 2/20 0.38
RET P07949 2/20 0.38
KDR P35968 2/20 0.38
CAMK1D Q8IU85 2/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
GSK3A P49840 1/20 0.38
PRKX P51817 1/20 0.38
TYK2 P29597 5/20 0.37
KCNH2 Q12809 1/20 0.37
BTK Q06187 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 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
SCHEMBL16478691 0.83 JAK3 (0.43) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL15014550 0.83 JAK3 (0.43) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL12683327 0.83 JAK3 (0.43) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL16478644 0.80 IRAK4 (0.41) JAK2JAK1JAK3TYK2MEN1
SCHEMBL24456492 0.80 JAK2 (0.40) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL12424401 0.80 JAK2 (0.40) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL30497410 0.80 JAK2 (0.40) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL12384653 0.79 JAK2 (0.39) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL12424943 0.79 ALDH1A1 (0.43) JAK2JAK1JAK3ROCK1PKN2
SCHEMBL19012676 0.78 JAK2 (0.36) JAK2JAK1JAK3ROCK1PKN2

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-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 122/4885JAK1 434/4885JAK3 780/4885

“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.