SCHEMBL1509636

SCHEMBL1509636

COCCN1CCC(CNC(=O)c2ccc3nc(-c4cc(-c5cccnc5OC)ccc4O)[nH]c3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.56
CARM1 Q86X55 1/20 0.47
TBK1 Q9UHD2 3/20 0.44
LYN P07948 1/20 0.41
GRK2 P25098 1/20 0.41
CLK1 P49759 1/20 0.41
GSK3A P49840 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK7 Q13164 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
CHEK2 O96017 2/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 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
SCHEMBL14090502 0.96 GSK3B (0.61) GSK3BCARM1TBK1LYNGRK2
SCHEMBL14090462 0.93 GSK3B (0.49) GSK3BCARM1TBK1CHEK2CDK4
SCHEMBL14090464 0.91 GSK3B (0.47) GSK3BCARM1TBK1CHEK2CDK4
SCHEMBL1509575 0.91 CHEK2 (0.49) GSK3BCARM1TBK1CHEK2
SCHEMBL12833907 0.91 GSK3B (0.53) GSK3BCARM1TBK1LYNGRK2
SCHEMBL1509617 0.91 GSK3B (0.54) GSK3BCARM1TBK1CHEK2CDK4
SCHEMBL14090530 0.90 GSK3B (0.46) GSK3BCARM1TBK1CHEK2CDK4
SCHEMBL4964947 0.90 GSK3B (0.51) GSK3BCARM1TBK1LYNGRK2
SCHEMBL12834324 0.87 GSK3B (0.51) GSK3BCARM1TBK1
SCHEMBL12833926 0.85 GSK3B (0.47) GSK3BCARM1TBK1CHEK2

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 GSK3B 1395/4885CARM1 785/4885TBK1 236/4885

“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.