SCHEMBL1509575

SCHEMBL1509575

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)NCC4CCN(Cc5ccccc5)C4)cc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.49
TBK1 Q9UHD2 2/20 0.47
GSK3B P49841 2/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
CARM1 Q86X55 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL14090462 0.92 GSK3B (0.49) CHEK2TBK1GSK3BCARM1DRD2
SCHEMBL1509636 0.91 GSK3B (0.56) CHEK2TBK1GSK3BCARM1
SCHEMBL14090464 0.90 GSK3B (0.47) CHEK2TBK1GSK3BCARM1
SCHEMBL12834022 0.90 CHEK2 (0.47) CHEK2BCHEACHE
SCHEMBL4965185 0.90 CHEK2 (0.47) CHEK2BCHEACHECARM1DRD2
SCHEMBL14090453 0.90 MCHR1 (0.48) CHEK2TBK1CARM1DRD2DRD4
SCHEMBL14090502 0.88 GSK3B (0.61) CHEK2TBK1GSK3BCARM1
SCHEMBL1509617 0.88 GSK3B (0.54) CHEK2TBK1GSK3BCARM1
SCHEMBL14090530 0.87 GSK3B (0.46) CHEK2TBK1GSK3BCARM1
SCHEMBL14090459 0.87 CHEK2 (0.51) CHEK2TBK1CARM1DRD2DRD4

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 8 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 claimed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP claimed
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 CHEK2 330/4885TBK1 236/4885GSK3B 1395/4885

“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.