SCHEMBL12833480

SCHEMBL12833480

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCC4CCCCN4C)ccc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
BRAF P15056 1/20 0.44
CARM1 Q86X55 3/20 0.41
GSK3B P49841 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TBK1 Q9UHD2 2/20 0.39
NAMPT P43490 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AURKA O14965 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 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
SCHEMBL1509504 0.92 BRAF (0.47) TLR9TLR8TLR7EGLN1BRAF
SCHEMBL14091090 0.90 CARM1 (0.40) CARM1GSK3BTBK1NAMPTHDAC3
SCHEMBL12833465 0.89 GAA (0.41) CARM1GSK3BTBK1NAMPTHDAC3
SCHEMBL14090932 0.89 GSK3B (0.45) EGLN1CARM1GSK3BTBK1NAMPT
SCHEMBL12833743 0.89 GSK3B (0.39) TLR9TLR8TLR7BRAFCARM1
SCHEMBL12833808 0.88 PARP1 (0.49) TLR9TLR8TLR7BRAFCARM1
SCHEMBL14090479 0.88 CARM1 (0.46) CARM1GSK3BPDE3BPDE3ATBK1
SCHEMBL12833935 0.87 CHEK1 (0.46) TLR9TLR8TLR7EGLN1CARM1
SCHEMBL12833910 0.86 EGLN1 (0.46) EGLN1CARM1GSK3BNAMPTHDAC3
SCHEMBL12833726 0.86 GSK3B (0.46) CARM1GSK3BTBK1NAMPT

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 5 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

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 TLR9 131/4885TLR8 123/4885TLR7 182/4885

“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.