SCHEMBL12424466

SCHEMBL12424466

CCC1CCN(Cc2cocn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
SCN9A Q15858 1/20 0.41
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
SRPK1 Q96SB4 7/20 0.34
SCN8A Q9UQD0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL15014517 0.84 ALDH1A1 (0.49) JAK2JAK1TYK2JAK3SCN9A
SCHEMBL12424613 0.82 LMNA (0.41) JAK2JAK1TYK2JAK3SCN9A
SCHEMBL12384431 0.80 SCN9A (0.43) JAK2JAK1TYK2JAK3SCN9A
SCHEMBL18933374 0.77 JAK2 (0.42) JAK2JAK1TYK2JAK3SCN9A
SCHEMBL15014645 0.75 LMNA (0.55) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL15698569 0.75 SMN1; SMN2 (0.45) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL12424465 0.72 SCN9A (0.41) SCN9ATLR9TLR8TLR7KDM4E
SCHEMBL12425852 0.72 MAPT (0.42) TLR9TLR8TLR7KDM4EMAPT
SCHEMBL13512585 0.72 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12425853 0.71 HRH3 (0.35)

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 434/4885TYK2 827/4885

“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.