SCHEMBL12833726

SCHEMBL12833726

CCN1CCC(CCNC(=O)c2ccc3[nH]c(-c4cc(-c5cccnc5OC)ccc4O)nc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CARM1 Q86X55 3/20 0.43
CHRM4 P08173 2/20 0.42
ACHE P22303 1/20 0.41
SCD O00767 1/20 0.40
NAMPT P43490 3/20 0.40
TBK1 Q9UHD2 2/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL14090932 0.93 GSK3B (0.45) GSK3BCARM1CHRM4ACHESCD
SCHEMBL12833837 0.88 GSK3B (0.56) GSK3BCARM1TBK1DYRK1A
SCHEMBL12833834 0.88 CARM1 (0.49) GSK3BCARM1NAMPTTBK1
SCHEMBL14090732 0.86 GSK3B (0.46) GSK3BCARM1TBK1
SCHEMBL12833480 0.86 TLR9 (0.45) GSK3BCARM1NAMPTTBK1
SCHEMBL12833839 0.86 CARM1 (0.46) GSK3BCARM1NAMPTTBK1
SCHEMBL12834471 0.86 NAMPT (0.46) NAMPT
SCHEMBL12834036 0.86 GSK3B (0.53) GSK3BCARM1TBK1
SCHEMBL12833752 0.85 GSK3B (0.49) GSK3BCARM1NAMPTTBK1
SCHEMBL12834324 0.85 GSK3B (0.51) GSK3BCARM1NAMPTTBK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 GSK3B 1395/4885CARM1 785/4885CHRM4 3707/4885

“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.