SCHEMBL1055480

SCHEMBL1055480

COc1cc(CC#N)ccc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.51
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
NSD2 O96028 1/20 0.46
SLC2A1 P11166 1/20 0.44
STS P08842 1/20 0.44
TGFBR1 P36897 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL1052689 0.96 GPR119 (0.51) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL4197047 0.85 GRIN2B (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL1052671 0.84 PDE4B (0.48) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL4431949 0.82 PDE4A (0.57) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL791854 0.81 KDM4E (0.55) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL21473562 0.81 PDE4B (0.56) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL30015882 0.81 PDE4B (0.56) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL31160618 0.80 GPR119 (0.50) GPR119CSF1R
SCHEMBL1054960 0.80 SLC2A1 (0.46) GPR119NSD2SLC2A1TGFBR1
SCHEMBL31160600 0.79 GPR119 (0.49) GPR119CSF1R

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-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 US disclosed
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 US disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 GPR119 1261/4885PDE4B 2261/4885PDE4A 2179/4885

“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.