SCHEMBL12425915

SCHEMBL12425915

CC(C)(C)OC(=O)N1CCC(N[C@H]2CC[C@H](n3cnc4cnc5c(c43)CCN5)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.47
HCAR1 Q9BXC0 1/20 0.46
PARP1 P09874 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL12424512 0.84 JAK1 (0.40) JAK1HCAR1GPR119PIM1PIM2
SCHEMBL12425794 0.83 JAK1 (0.42) JAK1HCAR1
SCHEMBL24327028 0.82 JAK1 (0.65) JAK1L3MBTL1KMT2A
SCHEMBL2294390 0.80 JAK1 (0.73) JAK1
SCHEMBL12385532 0.80 JAK1 (0.73) JAK1
SCHEMBL12425816 0.73 JAK1 (0.62) JAK1HCAR1
SCHEMBL2274036 0.72 JAK1 (0.72) JAK1
SCHEMBL12424336 0.71 JAK1 (0.53) JAK1
SCHEMBL12424377 0.71 JAK1 (0.45) JAK1HCAR1
SCHEMBL2280228 0.71 JAK1 (0.69) JAK1

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 JAK1 434/4885HCAR1 470/4885PARP1 231/4885

“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.