SCHEMBL21566466

SCHEMBL21566466

CC(C)c1cnn(CCC2CCOCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
JAK3 P52333 4/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
JAK2 O60674 3/20 0.33
BRD4 O60885 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
STAT3 P40763 1/20 0.33
HTR4 Q13639 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MPO P05164 1/20 0.32
LRRK2 Q5S007 2/20 0.31
KCNH2 Q12809 1/20 0.31
PDE1A P54750 1/20 0.31

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
SCHEMBL12089893 0.85 JAK2 (0.43) JAK3JAK2JAK1TYK2HTR4
SCHEMBL21453736 0.82 JAK3 (0.39) LIPCLIPGJAK3CNR1CNR2
SCHEMBL20696932 0.79 SCD (0.42) JAK3CNR1CNR2JAK2IKBKE
SCHEMBL20696927 0.79 SCD (0.42) JAK3CNR1CNR2JAK2IKBKE
SCHEMBL20696929 0.79 SCD (0.42) JAK3CNR1CNR2JAK2IKBKE
SCHEMBL21419214 0.79 LIPC (0.36) LIPCLIPGJAK3CNR1CNR2
SCHEMBL1662611 0.79 JAK3 (0.37) LIPCLIPGJAK3CNR1CNR2
Hydrochloric Acid SCHEMBL28516962 0.78 JAK3 (0.44) LIPCLIPGJAK3CNR1CNR2
SCHEMBL12090079 0.77 KDM5B (0.47) JAK3CNR2JAK2JAK1TYK2
SCHEMBL23036822 0.77 GABRA1 (0.38) LIPCLIPGJAK3CNR1CNR2

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-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-14 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 (2 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-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 LIPC 3854/4885LIPG 1923/4885JAK3 103/4885
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 LIPC 3854/4885LIPG 1923/4885JAK3 103/4885

“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.