SCHEMBL12833935

SCHEMBL12833935

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCCN4CCCC4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
SMYD2 Q9NRG4 5/20 0.45
EGLN1 Q9GZT9 2/20 0.45
KMT2A Q03164 1/20 0.44
NAMPT P43490 2/20 0.43
CARM1 Q86X55 1/20 0.43
GSK3B P49841 1/20 0.43
PARP1 P09874 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ATR Q13535 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL12833808 0.95 PARP1 (0.49) TLR9TLR8TLR7KMT2ANAMPT
SCHEMBL12833903 0.94 CDK4 (0.47) EGLN1KMT2ANAMPT
SCHEMBL12833839 0.93 CARM1 (0.46) CHEK1TLR9TLR8TLR7SMYD2
SCHEMBL1509464 0.92 CARM1 (0.48) CHEK1SMYD2EGLN1CARM1DRD2
SCHEMBL12833899 0.92 CARM1 (0.41) CHEK1TLR9TLR8TLR7SMYD2
SCHEMBL12833435 0.91 CDK4 (0.47) EGLN1KMT2ANAMPTCARM1GSK3B
SCHEMBL12833848 0.91 GSK3B (0.42) CHEK1TLR9TLR8TLR7SMYD2
SCHEMBL12833792 0.90 CARM1 (0.40) CHEK1TLR9TLR8TLR7SMYD2
SCHEMBL14090564 0.90 CARM1 (0.51) KMT2ACARM1GSK3BPARP1ATR
SCHEMBL12834062 0.89 CARM1 (0.48) TLR9TLR8TLR7NAMPTCARM1

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 CHEK1 431/4885TLR9 131/4885TLR8 123/4885

“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.